SCHEMBL1993537

SCHEMBL1993537

[CH]1C=CC(N2CCOCC2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL1900342 0.79 ALDH1A1 (0.31) LMNAALDH1A1
SCHEMBL695794 0.79 ALDH1A1 (0.31) LMNAALDH1A1
SCHEMBL468785 0.76 ADRA2C (0.34) MAPTALDH1A1KMT2AKDM4EADRA2C
SCHEMBL187983 0.76 ADRB1 (0.36) LMNAALDH1A1KDM4E
SCHEMBL21088137 0.73 GAA (0.35) LMNAMAPTALDH1A1HTTMEN1
SCHEMBL1681276 0.73 TSHR (0.37) LMNAMAPTALDH1A1HTTMEN1
SCHEMBL4771172 0.73 CHKA (0.48) MAPTHTTCYP1A2KDM4ETSHR
SCHEMBL2476107 0.72 CHRNA7 (0.42) MAPTALDH1A1KMT2ANPC1CYP1A2
SCHEMBL2480855 0.72 HRH3 (0.34) MEN1KMT2A
SCHEMBL2481612 0.72 KDM4E (0.40) MAPTALDH1A1KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145373-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-09-29 US disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 US disclosed
US-8674233-B2 Photosensitive conductive film, method for forming conductive film, method for forming conductive pattern, and conductive film substrate HITACHI CHEMICAL COMPANY, LTD. (JP) 2014-03-18 US disclosed
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF WITYAK JOHN (US) 2013-12-12 US disclosed
US-8536186-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2013-09-17 US disclosed
US-20120138348-A1 PHOTOSENSITIVE CONDUCTIVE FILM, METHOD FOR FORMING CONDUCTIVE FILM, METHOD FOR FORMING CONDUCTIVE PATTERN, AND CONDUCTIVE FILM SUBSTRATE RESONAC CORPORATION (JP) 2012-06-07 US disclosed
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
US-20110165514-A1 PHOTOSENSITIVE CONDUCTIVE FILM, METHOD FOR FORMING CONDUCTIVE FILM, METHOD FOR FORMING CONDUCTIVE PATTERN, AND CONDUCTIVE FILM SUBSTRATE RESONAC CORPORATION (JP) 2011-07-07 US disclosed
US-20110147054-A1 PHOTOSENSITIVE CONDUCTIVE FILM, METHOD FOR FORMING CONDUCTIVE FILM, METHOD FOR FORMING CONDUCTIVE PATTERN, AND CONDUCTIVE FILM SUBSTRATE RESONAC CORPORATION (JP) 2011-06-23 US disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 US disclosed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed
EP-1286977-A1 A NEW PROCESS FOR THE SYNTHESIS OF MORPHOLINYLBENZENES AstraZeneca AB (SE) 2003-03-05 EP disclosed
WO-2001087865-A1 A NEW PROCESS FOR THE SYNTHESIS OF MORPHOLINYLBENZENES ASTRAZENECA AB (SE) 2001-11-22 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 (5 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-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 LMNA 1386/4885MAPT 3562/4885ALDH1A1 2024/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 LMNA 4873/4885MAPT 3933/4885ALDH1A1 1850/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG LMNA 1575/4885MAPT 4814/4885ALDH1A1 2810/4885
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA LMNA 3637/4885MAPT 934/4885ALDH1A1 1087/4885
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS MAP4K2, MAP3K6, MAP3K2 LMNA 4421/4885MAPT 2641/4885ALDH1A1 1988/4885

“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.