SCHEMBL2171389

SCHEMBL2171389

COC(=O)c1oc(-c2ccc(Cl)cc2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
LMNA P02545 1/20 1.00
KDM4E B2RXH2 6/20 0.70
HRH3 Q9Y5N1 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TARBP2 Q15633 1/20 0.52
GAA P10253 1/20 0.50
IKBKB O14920 1/20 0.48
HSD17B10 Q99714 5/20 0.47
HPGD P15428 3/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 2/20 0.46

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
SCHEMBL10709187 0.86 ALDH1A1 (0.75) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL5640634 0.85 ALDH1A1 (0.74) ALDH1A1LMNAKDM4EHRH3SMN1; SMN2
SCHEMBL2777500 0.85 ALDH1A1 (0.74) ALDH1A1LMNAKDM4EHRH3SMN1; SMN2
SCHEMBL2778196 0.85 ALDH1A1 (0.74) ALDH1A1LMNAKDM4EHRH3SMN1; SMN2
SCHEMBL779982 0.84 KDM4E (0.73) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL1931358 0.83 ALDH1A1 (0.71) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL11625452 0.82 KDM4E (0.79) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL1931109 0.82 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL4467472 0.82 ALDH1A1 (0.69) ALDH1A1LMNAKDM4EHRH3SMN1; SMN2
SCHEMBL5899850 0.82 ALDH1A1 (0.69) ALDH1A1LMNAKDM4EHRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 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
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 (2 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-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI ALDH1A1 1594/4885LMNA 2759/4885KDM4E 1069/4885
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 837/4885LMNA 3222/4885KDM4E 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.