SCHEMBL96014

SCHEMBL96014

CC(c1ccccc1)n1nnnc1CO

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MCOLN2 Q8IZK6 1/20 0.38
CYP2D6 P10635 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
DAGLA Q9Y4D2 2/20 0.38
CNR2 P34972 1/20 0.38
MAOA P21397 1/20 0.37
BRD4 O60885 3/20 0.37
FAAH O00519 1/20 0.36

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
SCHEMBL8881202 0.88 DAGLA (0.39) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL96013 0.84 FAAH (0.39) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL8881199 0.81 DAGLA (0.39) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL24038267 0.76 MEN1 (0.46) NPSR1MEN1KMT2ALMNAKDM4E
SCHEMBL12844387 0.76 MEN1 (0.46) NPSR1MEN1KMT2ALMNAKDM4E
SCHEMBL9872410 0.75 CYP2D6 (0.41) NPSR1MEN1KMT2ALMNAKDM4E
SCHEMBL12141917 0.75 MCOLN2 (0.47) NPSR1MEN1KMT2ALMNAKDM4E
SCHEMBL9208351 0.72 MCOLN2 (0.45) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL7317875 0.72 FAAH (0.36) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL5998376 0.71 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4ECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 EP 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB NPSR1 1479/4885MEN1 4401/4885KMT2A 1059/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NPSR1 2023/4885MEN1 3912/4885KMT2A 2732/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NPSR1 2023/4885MEN1 3912/4885KMT2A 2732/4885

“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.