SCHEMBL951922

SCHEMBL951922

Nc1cccc(CCCNC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
EPHX2 P34913 1/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
CYP19A1 P11511 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL18041437 0.95 MAOA (0.51) MAOAMAOBKDM4EPOLBL3MBTL1
SCHEMBL1027287 0.90 MAOA (0.56) MAOAMAOBNPC1RAB9AHPGD
SCHEMBL27129577 0.82 HDAC6 (0.55) KDM4EPOLBL3MBTL1NPC1RAB9A
SCHEMBL378759 0.82 NPC1 (0.62) KDM4EPOLBL3MBTL1NPC1RAB9A
SCHEMBL16594295 0.82 MTNR1A (0.50) MAOAMAOBKDM4EPOLBNPC1
SCHEMBL3134457 0.82 POLB (0.49) MAOAMAOBPOLBMTNR1AMTNR1B
SCHEMBL1231292 0.81 CYP1A2 (0.65) MAOAMAOBKDM4EHPGDCYP2D6
SCHEMBL164622 0.81 L3MBTL1 (0.72) KDM4EPOLBL3MBTL1NPC1RAB9A
SCHEMBL1794493 0.81 NPC1 (0.52) KDM4EPOLBL3MBTL1NPC1RAB9A
SCHEMBL7839606 0.80 HPGD (0.62) MAOAMAOBKDM4EL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250467-A2 INHIBITORS OF ANTIMICROBIAL RESISTANCE AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2023-12-28 WO disclosed
WO-2023113456-A1 NOVEL COMPOUND FOR DEGRADING TARGET PROTEIN OR POLYPEPTIDE BY USING POLYUBIQUITINATION (주)프레이저테라퓨틱스 2023-06-22 WO disclosed
EP-3265458-B1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-12-19 EP disclosed
EP-3265458-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2018-01-10 EP disclosed
US-9822065-B1 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-11-21 US disclosed
US-9597333-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-03-21 US disclosed
US-20170014423-A1 Benzazepine Dicarboxamide Compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-19 US disclosed
US-9475775-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2016-10-25 US disclosed
WO-2016142250-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-09-15 WO disclosed
US-20160257653-A1 Benzazepine Dicarboxamide Compounds HOFFMANN-LA ROCHE INC. (US) 2016-09-08 US disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO disclosed
CN-101646427-A Inhibitors of akt activity SMITHKLINE BEECHAM CORP US 2010-02-10 CN disclosed
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
EP-1727544-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM Sanofi-Aventis (FR) 2006-12-06 EP disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
WO-2005099703-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM SANOFI-AVENTIS (FR) 2005-10-27 WO disclosed
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP disclosed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 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 (4 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-20170014423-A1 Benzazepine Dicarboxamide Compounds TLR1, TLR4, TLR5 MAOA 3134/4885MAOB 2967/4885KDM4E 598/4885
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 MAOA 1543/4885MAOB 2017/4885KDM4E 2696/4885
US-20160257653-A1 Benzazepine Dicarboxamide Compounds TLR1, TLR4, TLR5 MAOA 3134/4885MAOB 2967/4885KDM4E 598/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 MAOA 3275/4885MAOB 2982/4885KDM4E 2725/4885

“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.