SCHEMBL2172995

SCHEMBL2172995

O=C(O)c1oc(-c2ccc(Cl)cc2)nc1CBr

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
IKBKB O14920 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TARBP2 Q15633 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PPARA Q07869 1/20 0.40
MAOA P21397 1/20 0.40
ADRA1A P35348 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 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
SCHEMBL27839232 0.89 KDM4E (0.49) KDM4EALDH1A1LMNAIKBKBHSD17B10
SCHEMBL12344817 0.85 KDM4E (0.55) KDM4EALDH1A1LMNAIKBKBHSD17B10
SCHEMBL779982 0.78 KDM4E (0.73) KDM4EALDH1A1LMNAIKBKBHSD17B10
SCHEMBL1931053 0.78 ALDH1A1 (0.53) KDM4EALDH1A1LMNAIKBKBHSD17B10
SCHEMBL203871 0.75 HSD17B10 (0.53) KDM4EALDH1A1LMNAHSD17B10TARBP2
SCHEMBL27839233 0.74 KDM4E (0.56) KDM4EALDH1A1LMNAIKBKBHSD17B10
SCHEMBL11008533 0.73 KDM4E (0.76) KDM4ELMNAHSD17B10TARBP2RAB9A
SCHEMBL2778850 0.71 KDM4E (0.51) KDM4EALDH1A1LMNAHSD17B10TARBP2
SCHEMBL1931358 0.71 ALDH1A1 (0.71) KDM4EALDH1A1LMNAIKBKBHSD17B10
SCHEMBL28315298 0.71 KDM4E (0.59) KDM4EALDH1A1IKBKBHSD17B10TARBP2

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 10 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
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 KDM4E 2783/4885ALDH1A1 837/4885LMNA 3222/4885

“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.