SCHEMBL5652687

SCHEMBL5652687

COc1cc(-c2ccccc2)c(OC)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
PGR P06401 1/20 0.47
ADRA2B P18089 1/20 0.47
PTGS1 P23219 1/20 0.47
P2RX3 P56373 1/20 0.46
P2RX2 Q9UBL9 1/20 0.46
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.42
DHFR P00374 1/20 0.42
MAPT P10636 2/20 0.42
CASP1 P29466 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
FYN P06241 1/20 0.42
CYP1A1 P04798 1/20 0.42

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
SCHEMBL7649916 0.90 PGR (0.49) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL6570884 0.89 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL28157754 0.89 PGR (0.47) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL24049723 0.88 PGR (0.56) ALDH1A1CYP3A4PGRP2RX3P2RX2
Hydrochloric Acid SCHEMBL6572161 0.87 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL8267913 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL14027797 0.86 PGR (0.54) ALDH1A1CYP3A4HSD17B10PGRL3MBTL1
SCHEMBL28456459 0.85 PGR (0.45) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL656284 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL8501358 0.84 PGR (0.53) ALDH1A1CYP3A4HSD17B10PGRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 CN claimed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 CN claimed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 CN claimed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN claimed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN claimed
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 CN disclosed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 CN disclosed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 CN disclosed
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US disclosed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN disclosed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 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 (1 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-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 ALDH1A1 530/4885CYP3A4 1208/4885TDP1 1261/4885

“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.