Sugi Predict

Sugi Predict / Compounds / SCHEMBL4469320

SCHEMBL4469320

SCHEMBL4469320

Cc1nc(Cl)cc(-c2ccc(Cl)cc2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ AHR P35869 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL4469422 0.79 ALDH1A1 (0.43) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4478183 0.75 KDM4E (0.49) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL29604160 0.70 KDM4E (0.36) KDM4EALDH1A1CYP2C19CYP3A4AHR
SCHEMBL2721773 0.70 KDM4E (0.36) KDM4EALDH1A1CYP2C19CYP3A4AHR
SCHEMBL4481504 0.69 KDM4E (0.47) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL29257731 0.67 LMNA (0.41) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL3558362 0.67 MAP4K4 (0.41) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL3556547 0.66 ADORA2A (0.48) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL4478329 0.66 KDM4E (0.44) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL14907135 0.65 AHR (0.48) CYP1A2AHR

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 RAB9A 1618/4885KMT2A 3271/4885NPC1 750/4885

“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.