SCHEMBL13545232

SCHEMBL13545232

COCc1nnc(-c2ccc(-c3cc(F)ccc3OC)nc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
AMY1A P0DUB6 4/20 0.38
TDO2 P48775 2/20 0.38
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIT P10721 1/20 0.37

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
SCHEMBL931284 0.76 HPGD (0.50) SYKTDO2IDO1NPC1USP2
SCHEMBL931622 0.70 OXTR (0.68)
SCHEMBL11982737 0.68 MAPT (0.54) TDO2IDO1MEN1NPC1MAPT
SCHEMBL24168755 0.65 L3MBTL1 (0.55) SYKMEN1NPC1USP2CYP1A2
SCHEMBL29983266 0.65 L3MBTL1 (0.55) SYKMEN1NPC1USP2CYP1A2
SCHEMBL8940603 0.64 ERN1 (0.51) AMY1AMEN1NPC1USP2CYP1A2
SCHEMBL22241820 0.64 PDE10A (0.53) SYKTDO2MEN1NPC1USP2
SCHEMBL15674339 0.64 TDO2 (0.43) TDO2IDO1KMT2ACTSAALOX5AP
Hydrochloric Acid SCHEMBL18011222 0.63 ALDH1A1 (0.42) MEN1NPC1USP2CYP1A2CYP3A4
SCHEMBL18593397 0.63 ERN1 (0.56) SYKMEN1NPC1USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US 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-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists OXTR, PRLHR, KISS1R SYK 3342/4885AMY1A 2733/4885TDO2 3019/4885

“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.