SCHEMBL4481504

SCHEMBL4481504

Cc1cc(-c2ccc(Cl)cc2)c(Br)c(NN)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PPARG P37231 1/20 0.47
STAT3 P40763 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MAPT P10636 6/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
MEN1 O00255 3/20 0.42
CYP2C9 P11712 1/20 0.42
KDR P35968 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL4478183 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDNPSR1PPARG
SCHEMBL4469422 0.76 ALDH1A1 (0.43) KDM4EALDH1A1HPGDNPSR1PPARG
SCHEMBL4484227 0.73 KDM4E (0.47) KDM4EALDH1A1MAPTCYP3A4KDR
SCHEMBL4469320 0.69 RAB9A (0.40) KDM4EALDH1A1HPGDNPSR1PPARG
SCHEMBL21583562 0.69 NR1I2 (0.47) KDM4EALDH1A1NPSR1RXFP1NPC1
SCHEMBL9177570 0.66 SMN1; SMN2 (0.55) KDM4EALDH1A1HPGDNPSR1PPARG
SCHEMBL23797914 0.65 ALDH1A1 (0.35) KDM4EALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL3564948 0.65 ADORA2A (0.45) KDM4EALDH1A1HPGDNPSR1PPARG
SCHEMBL19537425 0.65 ADORA2A (0.56) KDM4EALDH1A1HPGDNPSR1PPARG
SCHEMBL21321795 0.64 GAA (0.37) MAPTKMT2ACYP1A2CYP3A4CYP2C19

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 KDM4E 3120/4885ALDH1A1 1668/4885HPGD 1585/4885

“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.