SCHEMBL95464

SCHEMBL95464

CCc1ccccc1-c1nnc(CCC[O])o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 5/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 3/20 0.40
ATR Q13535 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DDX3X O00571 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL95465 0.87 CXCR4 (0.43) NPC1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL96812 0.85 MAPT (0.44) NPC1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL96389 0.84 SMN1; SMN2 (0.45) NPC1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL96390 0.80 NOTUM (0.56) NPC1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL96220 0.76 MAPT (0.46) NPC1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL23369884 0.74 BRD4 (0.51) NPC1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL96813 0.74 MAPT (0.44) NPC1SMN1; SMN2RAB9AHPGDMEN1
SCHEMBL96972 0.72 ALDH1A1 (0.44) NPC1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL7390786 0.72 NPC1 (0.49) NPC1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL96221 0.70 NOTUM (0.48) NPC1SMN1; SMN2RAB9AHPGDMEN1

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 7 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

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 NPC1 2361/4885SMN1; SMN2 3998/4885RAB9A 3886/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NPC1 2922/4885SMN1; SMN2 3084/4885RAB9A 2273/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NPC1 2922/4885SMN1; SMN2 3084/4885RAB9A 2273/4885

“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.