SCHEMBL96203

SCHEMBL96203

[CH2]CCCOc1cccc2cnccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.69
HTR1B P28222 4/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR3C1 P04150 2/20 0.42

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
SCHEMBL96408 0.95 KCNA3 (0.72) KCNA3HTR1BLMNACYP1A2CYP3A4
SCHEMBL94706 0.94 KCNA3 (0.70) KCNA3HTR1BLMNACYP1A2CYP3A4
SCHEMBL96699 0.92 KCNA3 (0.67) KCNA3HTR1BLMNACYP1A2CYP3A4
SCHEMBL1545737 0.86 KCNA3 (0.71) KCNA3HTR1BLMNACYP1A2CYP3A4
SCHEMBL94801 0.85 KCNA3 (0.61) KCNA3LMNACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10361952 0.84 KCNA3 (0.69) KCNA3HTR1BLMNACYP1A2CYP3A4
SCHEMBL10576049 0.84 KCNA3 (0.69) KCNA3HTR1BLMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10363348 0.83 KCNA3 (0.72) KCNA3HTR1BLMNACYP1A2CYP3A4
SCHEMBL4328934 0.83 KCNA3 (0.67) KCNA3HTR1BLMNACYP1A2CYP3A4
SCHEMBL10361892 0.83 KCNA3 (0.67) KCNA3HTR1BLMNACYP1A2CYP3A4

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 KCNA3 4416/4885HTR1B 3484/4885LMNA 3740/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KCNA3 4404/4885HTR1B 4032/4885LMNA 4860/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KCNA3 4404/4885HTR1B 4032/4885LMNA 4860/4885

“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.