SCHEMBL95412

SCHEMBL95412

[CH2]c1ccc(C(=O)N(CC)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
LPAR1 Q92633 1/20 0.49
LPAR5 Q9H1C0 1/20 0.49
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 1/20 0.49
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSP90AA1 P07900 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GRM5 P41594 1/20 0.45

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
SCHEMBL2960979 0.82 USP2 (0.58) HDAC1HDAC6ALDH1A1SMN1; SMN2MEN1
SCHEMBL5543735 0.82 HPGD (0.61) ALDH1A1SMN1; SMN2HSP90AA1MEN1KMT2A
SCHEMBL11809876 0.82 OPRM1 (0.65) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL95772 0.81 HDAC1 (0.52) HDAC1HDAC6LPAR1LPAR5MEN1
SCHEMBL94674 0.81 ALDH1A1 (0.68) HDAC1HDAC6LPAR1LPAR5ALDH1A1
SCHEMBL13064495 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL9132014 0.77 HDAC1 (0.63) HDAC1HDAC6ALDH1A1HSP90AA1HPGD
SCHEMBL29173032 0.76 OPRM1 (0.52) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL8867879 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL25138742 0.75 HDAC1 (0.71) HDAC1HDAC6LPAR1LPAR5OPRD1

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 HDAC1 476/4885HDAC6 1080/4885LPAR1 2951/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HDAC1 1814/4885HDAC6 2093/4885LPAR1 737/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HDAC1 1814/4885HDAC6 2093/4885LPAR1 737/4885

“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.