SCHEMBL95374

SCHEMBL95374

[CH2]c1ccc(C(=O)NCc2ccco2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.73
MLYCD O95822 1/20 0.68
HPGD P15428 8/20 0.66
ALDH1A1 P00352 5/20 0.66
LMNA P02545 3/20 0.66
TP53 P04637 3/20 0.64
POLB P06746 3/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPT P10636 3/20 0.63
NPC1 O15118 1/20 0.63
TSHR P16473 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
PKM P14618 1/20 0.61
HTT P42858 1/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60

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
SCHEMBL4491643 0.86 TDP1 (0.75) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL1490952 0.85 HPGD (0.76) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL6023593 0.84 TDP1 (1.00) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL2422719 0.84 TDP1 (0.73) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL13212973 0.84 TDP1 (0.73) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL1394361 0.83 HPGD (0.72) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL4672305 0.82 TDP1 (0.69) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL13762084 0.82 TDP1 (0.74) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL8404655 0.82 TDP1 (0.74) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL8404654 0.82 TDP1 (0.69) TDP1MLYCDHPGDALDH1A1LMNA

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 TDP1 3588/4885MLYCD 4635/4885HPGD 2146/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TDP1 4079/4885MLYCD 3616/4885HPGD 2322/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TDP1 4079/4885MLYCD 3616/4885HPGD 2322/4885

“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.