SCHEMBL90913

SCHEMBL90913

Cc1cccc2c1OCOC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CXCR5 P32302 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 2/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21938673 0.82 SMN1; SMN2 (0.34) ADRA2AADRA2BADRA1AKDM4ELMNA
SCHEMBL12824889 0.77 ALDH1A1 (0.39) ALDH1A1HPGDMAPTNPSR1CXCR5
SCHEMBL7968415 0.76 CXCR5 (0.32) ALDH1A1MAPTCXCR5TSHRUSP2
SCHEMBL8373209 0.76 DRD2 (0.39) ALDH1A1HPGDMAPTCXCR5LMNA
SCHEMBL69262 0.76 GABRA1 (0.36) HPGDCXCR5LMNACYP1A2TSHR
SCHEMBL8975033 0.76 CA2 (0.36) ALDH1A1CXCR5TSHRCA2
SCHEMBL11106287 0.76 TERT (0.38) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL90934 0.75 CYP1A2 (0.33) ALDH1A1HPGDKDM4ECYP1A2CYP2A6
SCHEMBL22103429 0.73 KDM4E (0.40) ALDH1A1HPGDKDM4ECYP1A2CYP2A6
SCHEMBL18332873 0.73 PTGS2 (0.31) ALDH1A1HPGDTSHRMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
EP-3738434-A1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2020-11-18 EP disclosed
EP-3141542-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2017-03-15 EP disclosed
US-9018210-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-04-28 US disclosed
US-8796250-B2 Diaryl ureas for diseases mediated by PDGFR BAYER HEALTHCARE LLC (US) 2014-08-05 US disclosed
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
US-8440812-B2 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation NOGRA PHARMA LIMITED (IE) 2013-05-14 US disclosed
US-8440812-B2 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation NOGRA PHARMA LIMITED (IE) 2013-05-14 US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
US-20100323980-A9 Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation NOGRA PHARMA LIMITED (IE) 2010-12-23 US disclosed
US-20100323980-A9 Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation NOGRA PHARMA LIMITED (IE) 2010-12-23 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20090258837-A1 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation GIULIANI INTERNATIONAL LIMITED (IE) 2009-10-15 US disclosed
US-20090258837-A1 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation GIULIANI INTERNATIONAL LIMITED (IE) 2009-10-15 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. 2007-04-05 US disclosed
WO-2007010515-A1 IMPROVEMENTS TO ANALOGOUS COMPOUNDS OF 6-THIOGUANOSINE TRIPHOSPHATE, THEIR USE IN MEDICAL FIELDS AND PROCESSES FOR THEIR PREPARATION GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090258837-A1 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation TPMT, MTAP, G6PD ALDH1A1 1888/4885HPGD 590/4885MAPT 4430/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A ALDH1A1 2581/4885HPGD 1984/4885MAPT 1990/4885
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 ALDH1A1 542/4885HPGD 3586/4885MAPT 3167/4885
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use MKI67, HPGDS, HCCS ALDH1A1 901/4885HPGD 31/4885MAPT 4146/4885
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS ALDH1A1 670/4885HPGD 16/4885MAPT 3384/4885
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 216/4885HPGD 202/4885MAPT 4744/4885
US-20100323980-A9 Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation TPMT, G6PD, MTAP ALDH1A1 1956/4885HPGD 666/4885MAPT 4425/4885
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS ALDH1A1 901/4885HPGD 31/4885MAPT 4146/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4801/4885HPGD 3049/4885MAPT 3211/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.