SCHEMBL4470177

SCHEMBL4470177

Clc1ccc(-c2ccnc(Cl)c2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
MAPT P10636 5/20 0.40
KMT2A Q03164 2/20 0.40
LRRK2 Q5S007 1/20 0.40
MEN1 O00255 1/20 0.40
KMO O15229 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL4475014 0.80 KDM4E (0.40) TDP1KDM4EALDH1A1LMNALRRK2
SCHEMBL4484227 0.77 KDM4E (0.47) TDP1KDM4EALDH1A1LMNAPIK3CA
SCHEMBL4520735 0.73 NOTUM (0.41) TDP1KDM4EALDH1A1LMNAMAPT
SCHEMBL25669642 0.73 TDP1 (0.40) TDP1KDM4EALDH1A1LMNAMAPT
SCHEMBL4478884 0.72 SMN1; SMN2 (0.47) TDP1KDM4EALDH1A1LMNAMAPT
SCHEMBL4518271 0.71 KMO (0.49) TDP1KDM4EALDH1A1LMNAMAPT
SCHEMBL28313158 0.69 GLO1 (0.47) TDP1KDM4EALDH1A1LMNAMAPT
SCHEMBL25405042 0.69
SCHEMBL4478461 0.69
SCHEMBL9157192 0.68 KMO (0.46) KDM4EALDH1A1MAPTKMOSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 TDP1 985/4885KDM4E 3120/4885ALDH1A1 1668/4885

“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.