SCHEMBL94748

SCHEMBL94748

[CH2]c1ccc(NC(=O)C=Cc2ccccc2Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.78
MAPT P10636 8/20 0.78
NPC1 O15118 6/20 0.78
MAOB P27338 2/20 0.78
MAOA P21397 1/20 0.76
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
KMT2A Q03164 9/20 0.69
MEN1 O00255 7/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
ALDH1A1 P00352 3/20 0.69
TP53 P04637 2/20 0.69
KDM4E B2RXH2 3/20 0.67
TDP1 Q9NUW8 1/20 0.66
THRB P10828 2/20 0.65
LMNA P02545 4/20 0.64
HTT P42858 1/20 0.64

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
SCHEMBL94747 1.00 RAB9A (0.78) RAB9AMAPTNPC1MAOBMAOA
SCHEMBL4280503 0.88 RAB9A (1.00) RAB9AMAPTNPC1MAOBMAOA
SCHEMBL4280508 0.88 RAB9A (1.00) RAB9AMAPTNPC1MAOBMAOA
SCHEMBL14772202 0.84 RAB9A (0.76) RAB9AMAPTNPC1MAOBMAOA
SCHEMBL6756641 0.82 RAB9A (0.72) RAB9AMAPTNPC1MAOBMAOA
SCHEMBL6756642 0.82 RAB9A (0.72) RAB9AMAPTNPC1MAOBMAOA
SCHEMBL6756640 0.82 RAB9A (0.72) RAB9AMAPTNPC1MAOBMAOA
SCHEMBL14597974 0.82 MAPT (0.72) RAB9AMAPTNPC1MAOBMAOA
SCHEMBL6756777 0.81 RAB9A (0.70) RAB9AMAPTNPC1MAOBMAOA
SCHEMBL6756779 0.81 RAB9A (0.70) RAB9AMAPTNPC1MAOBMAOA

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 RAB9A 3886/4885MAPT 4112/4885NPC1 2361/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 RAB9A 2273/4885MAPT 4773/4885NPC1 2922/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 RAB9A 2273/4885MAPT 4773/4885NPC1 2922/4885

“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.