SCHEMBL96315

SCHEMBL96315

C/C([O])=C/Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
ALDH1A1 P00352 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ARG2 P78540 1/20 0.42
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AKR1B1 P15121 1/20 0.39
TOP1 P11387 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPA1 O75762 1/20 0.38
HPGD P15428 2/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS2 P35228 1/20 0.38
ALPI P09923 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
SCHEMBL96316 1.00 MAOB (0.48) MAOBALDH1A1CA1CA2ARG2
SCHEMBL9327534 0.81 MAOB (0.52) MAOBALDH1A1CA1CA2ARG2
SCHEMBL9327526 0.81 MAOB (0.52) MAOBALDH1A1CA1CA2ARG2
SCHEMBL6891100 0.81 MAOB (0.52) MAOBALDH1A1CA1CA2ARG2
SCHEMBL1586710 0.81 MAOB (0.52) MAOBALDH1A1CA1CA2ARG2
SCHEMBL3937846 0.81 MAOB (0.52) MAOBALDH1A1CA1CA2ARG2
SCHEMBL25228665 0.79 MAOB (0.50) MAOBALDH1A1CA1CA2ARG2
Ammonia Solution, Strong SCHEMBL27544194 0.79 MAOB (0.50) MAOBALDH1A1CA1CA2ARG2
SCHEMBL30528 0.78 CYP2C9 (0.51) MAOBALDH1A1CA1CA2ARG2
SCHEMBL19134568 0.78 ALDH1A1 (0.45) MAOBALDH1A1CA1CA2ARG2

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 9 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
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

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 MAOB 2043/4885ALDH1A1 2948/4885CA1 3276/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAOB 4538/4885ALDH1A1 2458/4885CA1 2592/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAOB 4538/4885ALDH1A1 2458/4885CA1 2592/4885

“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.