SCHEMBL1639869

SCHEMBL1639869

Nc1cc(F)ccc1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
HTR2A P28223 2/20 0.53
SLC6A4 P31645 2/20 0.53
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RCE1 Q9Y256 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
CACNA1C Q13936 1/20 0.46
HTT P42858 2/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL1339195 0.88 MAPT (0.53) CYP1A2CYP2C9CYP2C19CYP3A4HTR2A
SCHEMBL1338894 0.82 GAA (0.72) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL7005212 0.82 MAOB (0.57) CYP1A2CYP2C19ALDH1A1GAAMAOA
SCHEMBL641262 0.81 MAPT (0.71) CYP1A2CYP2C9CYP2C19CYP3A4HTR2A
SCHEMBL3041614 0.81 MAPT (0.52) CYP1A2CYP2C9CYP2C19CYP3A4SLC6A4
SCHEMBL1341568 0.81 L3MBTL1 (0.64) CYP1A2CYP2C9CYP2C19CYP3A4SLC6A4
SCHEMBL31120710 0.81 L3MBTL1 (0.67) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL29382755 0.80 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL3114464 0.80 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL7405348 0.79 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388379-A Organic total synthesis method of nimesulide derivative 大连理工大学 2024-07-26 CN disclosed
US-8841320-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY 2014-09-23 US disclosed
US-8841320-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY 2014-09-23 US disclosed
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging VANDERBILT UNIVERSITY (US) 2013-07-11 US disclosed
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging VANDERBILT UNIVERSITY (US) 2013-07-11 US disclosed
EP-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP disclosed
US-8372868-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2013-02-12 US disclosed
US-8372868-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2013-02-12 US disclosed
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2013-01-31 US disclosed
US-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2012-11-22 US disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US disclosed
WO-2007036785-A2 CARBON-ISOTOPE MONOXIDE LABELING OF DAA1106 AND ITS ANALOGUES TO BE USED AS TRACERS FOR A PERIPHERAL TYPE BENZODIAZEPINE BINDING SITE GE HEALTHCARE LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036785-A2 CARBON-ISOTOPE MONOXIDE LABELING OF DAA1106 AND ITS ANALOGUES TO BE USED AS TRACERS FOR A PERIPHERAL TYPE BENZODIAZEPINE BINDING SITE GE HEALTHCARE LIMITED (GB) 2007-04-05 WO disclosed
CN-1279044-C Non-steroidal progesterone receptor modulators AKZO NOBEL NV (NL) 2006-10-11 CN disclosed
US-20050171087-A1 Non-steroidal progesterone receptor modulators MERCK SHARP & DOHME B.V. (NL) 2005-08-04 US disclosed
CN-1649879-A Non-steroidal progesterone receptor modulators AKZO NOBEL NV (NL) 2005-08-03 CN disclosed
EP-1495030-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS Akzo Nobel N.V. (NL) 2005-01-12 EP disclosed
WO-2003084963-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS AKZO NOBEL N.V. (NL) 2003-10-16 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-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING TSPO, MKI67, CNR1 CYP1A2 610/4885CYP2C9 1296/4885CYP2C19 709/4885
US-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 CYP1A2 3078/4885CYP2C9 1752/4885CYP2C19 1836/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 CYP1A2 2918/4885CYP2C9 1663/4885CYP2C19 1827/4885
US-20050171087-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 CYP1A2 159/4885CYP2C9 280/4885CYP2C19 76/4885
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging TSPO, MKI67, GABRA4 CYP1A2 228/4885CYP2C9 601/4885CYP2C19 409/4885

“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.