SCHEMBL2188685

SCHEMBL2188685

CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1CNCc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ABCB1 P08183 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CHEK1 O14757 1/20 0.45
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
LMNA P02545 2/20 0.44
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
MAPT P10636 1/20 0.43
PTPN11 Q06124 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL25190083 0.89 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2189559 0.88 ABCB1 (0.48) SMN1; SMN2ALDH1A1ABCB1LMNAMAPT
SCHEMBL25196097 0.81 KDM4E (0.39) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL25514725 0.80 MEN1 (0.42) NPC1RAB9AKDM4EALDH1A1ABCB1
SCHEMBL2184854 0.79 NPC1 (0.73) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL25189566 0.77 MEN1 (0.42) KDM4EALDH1A1ABCB1MAPT
SCHEMBL718420 0.76 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20022408 0.75 NPC1 (0.78) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31728405 0.75 NPC1 (0.59) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20795066 0.75 NPC1 (0.78) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 WO disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 NPC1 1529/4885RAB9A 2906/4885KDM4E 2972/4885

“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.