SCHEMBL96035

SCHEMBL96035

[CH2]c1ccc(NC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.83
NPC1 O15118 10/20 0.83
SMN1; SMN2 Q16637 6/20 0.83
TP53 P04637 4/20 0.83
ALOX15 P16050 1/20 0.83
ALDH1A1 P00352 5/20 0.68
CYP1A2 P05177 2/20 0.68
KDM4E B2RXH2 1/20 0.68
KMT2A Q03164 5/20 0.66
MEN1 O00255 2/20 0.66
GAA P10253 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
CASP3 P42574 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL95974 1.00 RAB9A (0.83) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.91 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5399964 0.85 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL330082 0.85 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22640296 0.85 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15

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 10 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN 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

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

“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.