SCHEMBL2171600

SCHEMBL2171600

Cc1cc(-c2ccc(Cl)cn2)sc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
PTPN1 P18031 1/20 0.37
PTPRA P18433 1/20 0.37
MCL1 Q07820 3/20 0.37
BCKDK O14874 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LDHA P00338 1/20 0.36
GABRA5 P31644 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HDAC1 Q13547 1/20 0.36
BCL2L1 Q07817 2/20 0.36
BCL2 P10415 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
SCHEMBL2170975 0.80 HDAC1 (0.36) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL2176910 0.77 PTPN1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL2170554 0.77 KDM4E (0.57) NPC1RAB9AKDM4EALDH1A1HDAC1
SCHEMBL2170776 0.75 PIK3CD (0.36) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL2170050 0.74 ALDH1A1 (0.37) NPC1RAB9AKDM4ESMN1; SMN2POLB
SCHEMBL24970240 0.71 MAPT (0.40) NPC1RAB9AKDM4ESMN1; SMN2ADAMTS5
SCHEMBL2414231 0.69 HPGD (0.46) MCL1ALDH1A1BCL2L1HPGD
SCHEMBL23416926 0.69 JAK2 (0.40) NPC1RAB9AKDM4ESMN1; SMN2MCL1
SCHEMBL3585269 0.68 KDM4E (0.56) NPC1RAB9AKDM4ESMN1; SMN2PTPN1
SCHEMBL364131 0.68 GPR35 (0.56) KDM4EPTPN1HDAC1HTTLMNA

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-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346860-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 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-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R NPC1 2473/4885RAB9A 2482/4885KDM4E 2783/4885

“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.