SCHEMBL94883

SCHEMBL94883

CCCCCc1cccc(-c2nnc(C[O])o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.54
SPHK1 Q9NYA1 4/20 0.54
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LPL P06858 3/20 0.40
LIPG Q9Y5X9 3/20 0.40
CES1 P23141 1/20 0.40
APLNR P35414 2/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL96693 0.89 SPHK2 (0.53) SPHK2SPHK1HPGDTSHRSMN1; SMN2
SCHEMBL94884 0.87 SPHK2 (0.56) SPHK2SPHK1HPGDTSHRSMN1; SMN2
SCHEMBL96694 0.84 SPHK2 (0.56) SPHK2SPHK1LPLLIPGNOTUM
SCHEMBL2536135 0.82 MAPT (0.48) SPHK2SPHK1HPGDTSHRSMN1; SMN2
SCHEMBL21887203 0.77 NPC1 (0.50) SPHK2SPHK1HPGDTSHRSMN1; SMN2
SCHEMBL95835 0.75 SPHK2 (0.54) SPHK2SPHK1HPGDTSHRSMN1; SMN2
SCHEMBL9658657 0.74 LPL (0.59) LPLLIPGKCNH2CYP3A4
SCHEMBL3933762 0.74 SPHK2 (0.48) SPHK2SPHK1LPLLIPG
SCHEMBL28079356 0.73 LPL (0.61) LPLLIPGALDH1A1KCNH2TP53
SCHEMBL95171 0.73 MAPT (0.55) HPGDTSHRSMN1; SMN2NPC1RAB9A

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 11 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

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 SPHK2 1273/4885SPHK1 1150/4885HPGD 2146/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SPHK2 471/4885SPHK1 531/4885HPGD 2322/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SPHK2 471/4885SPHK1 531/4885HPGD 2322/4885

“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.