SCHEMBL725739

SCHEMBL725739

CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2[nH]cnc2c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2279061 1.00 MEN1 (0.38) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL14810603 0.85
SCHEMBL14810597 0.85
SCHEMBL14810721 0.84
SCHEMBL14810719 0.84
SCHEMBL14810582 0.83 PDE2A (0.40)
SCHEMBL14810580 0.83 PDE2A (0.40)
SCHEMBL14809969 0.82
SCHEMBL15999433 0.82
SCHEMBL14810525 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115149-B2 Heterocyclic compounds as inhibitors of fatty acid biosysnthesis for bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2015-08-25 US claimed
US-20140249170-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYSNTHESIS FOR BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2014-09-04 US claimed
EP-2758376-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYNTHESIS FOR BACTERIAL INFECTIONS Vitas Pharma Research Private Limited (IN) 2014-07-30 EP claimed
WO-2013042035-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYNTHESIS FOR BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2013-03-28 WO claimed
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN claimed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US claimed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP claimed
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN claimed
EP-3330269-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYNTHESIS FOR BACTERIAL INFECTIONS Vitas Pharma Research Private Limited (IN) 2018-06-06 EP disclosed
US-9115149-B2 Heterocyclic compounds as inhibitors of fatty acid biosysnthesis for bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2015-08-25 US disclosed
US-9115149-B2 Heterocyclic compounds as inhibitors of fatty acid biosysnthesis for bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2015-08-25 US disclosed
US-9115149-B2 Heterocyclic compounds as inhibitors of fatty acid biosysnthesis for bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2015-08-25 US disclosed
US-20140249170-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYSNTHESIS FOR BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2014-09-04 US disclosed
US-20140249170-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYSNTHESIS FOR BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2014-09-04 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 US disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP disclosed
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 MEN1 3468/4885NPC1 455/4885ALDH1A1 2491/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 MEN1 3468/4885NPC1 455/4885ALDH1A1 2491/4885
US-20140249170-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYSNTHESIS FOR BACTERIAL INFECTIONS FASN, DBI, FAAH MEN1 4355/4885NPC1 1348/4885ALDH1A1 2530/4885

“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.