SCHEMBL3760547

SCHEMBL3760547

O=C(O)c1ccc(-c2ccccc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.52
▸ LDHA P00338 1/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MCL1 Q07820 2/20 0.44
▸ MIF P14174 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MGAM O43451 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ P4HTM Q9NXG6 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL5740038 0.91 KMO (0.45) KMOLDHANPC1RAB9ASMN1; SMN2
SCHEMBL23015354 0.84 NAPRT (0.43) SMN1; SMN2ALDH1A1KDM4ECASP1LMNA
SCHEMBL30351101 0.82 MCL1 (0.56) ALDH1A1MCL1KDM4ECASP1LMNA
SCHEMBL25746611 0.82 MCL1 (0.56) ALDH1A1MCL1KDM4ECASP1LMNA
SCHEMBL2493590 0.79 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL698657 0.79 KDM4E (0.52) SMN1; SMN2HPGDALDH1A1TP53MIF
SCHEMBL3648559 0.78 CSNK2A2 (0.55) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL25650471 0.77 STING1 (0.56) MIFKDM4ELMNANAPRTP4HTM
SCHEMBL5740036 0.77 MIF (0.63) KMOLDHANPC1RAB9ASMN1; SMN2
SCHEMBL30831836 0.76 CYP1A2 (0.51) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 — — US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 — — US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 — — WO claimed
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 — — EP disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 — — US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 — — US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 — — WO disclosed
US-7378447-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-05-27 — — US disclosed
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 — — US disclosed
EP-1644320-B1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS LILLY CO ELI (US) 2008-01-16 — — EP disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 — — US disclosed
US-20060154922-A1 Muscarinic agonists ELILILLY AND COMPANY (US) 2006-07-13 — — US disclosed
EP-1608619-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 — — EP disclosed
EP-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 — — EP disclosed
CN-1556788-A Muscarinic agonists — 2004-12-22 — — CN disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 — — US disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 — — WO disclosed
WO-2004094382-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 — — WO disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 — — EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 — — 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 (3 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-20060154922-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 KMO 1163/4885LDHA 4546/4885NPC1 1490/4885
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 KMO 257/4885LDHA 4219/4885NPC1 1258/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KMO 1446/4885LDHA 3763/4885NPC1 206/4885

“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.

Send feedback