SCHEMBL5115763

SCHEMBL5115763

COCc1nnc(-c2ccc(Br)cc2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
POLB P06746 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
KMT2A Q03164 2/20 0.52
DGAT1 O75907 1/20 0.50
HPGD P15428 4/20 0.49
PTGS2 P35354 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARG P37231 1/20 0.48
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL2090020 0.85 NPC1 (0.57) MAPTPOLBL3MBTL1HTTNPC1
SCHEMBL2088807 0.83 MAPT (0.69) MAPTPOLBNPC1RAB9AKMT2A
SCHEMBL2090476 0.83 KMT2A (0.57) MAPTPOLBL3MBTL1HTTNPC1
SCHEMBL8589773 0.81 NPC1 (0.61) MAPTPOLBL3MBTL1HTTNPC1
SCHEMBL29133064 0.80 NOTUM (0.43) MAPTPOLBL3MBTL1HTTNPC1
SCHEMBL12419595 0.80 MAPT (0.46) MAPTPOLBL3MBTL1HTTNPC1
SCHEMBL2093817 0.80 RAB9A (0.53) MAPTPOLBNPC1RAB9AHPGD
SCHEMBL29133041 0.79 KDM4E (0.52) MAPTPOLBL3MBTL1NPC1RAB9A
SCHEMBL30889116 0.79 NPC1 (0.63) MAPTPOLBL3MBTL1HTTNPC1
SCHEMBL30889117 0.79 NPC1 (0.63) MAPTPOLBL3MBTL1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
EP-1863484-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-12-12 EP disclosed
WO-2006100588-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 WO disclosed
WO-2006100588-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 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-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, PRLHR, KISS1R MAPT 1826/4885POLB 3165/4885L3MBTL1 4180/4885

“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.