SCHEMBL97673

SCHEMBL97673

[CH2]c1ccc(C(=O)N(C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHEK2 O96017 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
GRM1 Q13255 1/20 0.42
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL23367841 0.84 SMN1; SMN2 (0.60) EGFRERBB2ALDH1A1POLBTDP1
SCHEMBL7400709 0.83 EGFR (0.48) EGFRERBB2ALDH1A1POLBTDP1
SCHEMBL7410067 0.83 CHEK2 (0.49) EGFRERBB2ALDH1A1POLBTDP1
SCHEMBL12311615 0.82 KMT2A (0.64) EGFRERBB2ALDH1A1POLBSMN1; SMN2
SCHEMBL8012222 0.82 KMT2A (0.59) EGFRERBB2POLBHTTKMT2A
SCHEMBL14183990 0.82 KMT2A (0.59) EGFRERBB2ALDH1A1POLBSMN1; SMN2
SCHEMBL21652258 0.81 SMN1; SMN2 (0.48) EGFRERBB2ALDH1A1POLBTDP1
SCHEMBL30962500 0.81 ALDH1A1 (0.50) EGFRERBB2ALDH1A1POLBTDP1
SCHEMBL1196420 0.81 ALDH1A1 (0.47) EGFRERBB2ALDH1A1SMN1; SMN2MAPT
SCHEMBL21652257 0.80 NR1H4 (0.65) EGFRERBB2ALDH1A1POLBTDP1

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 13 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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN 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-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 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 EGFR 2494/4885ERBB2 1130/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 EGFR 453/4885ERBB2 431/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 EGFR 453/4885ERBB2 431/4885ALDH1A1 2458/4885

“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.