SCHEMBL96964

SCHEMBL96964

COC(=O)c1ccc(CN2C(=O)CCc3c(/C=C4/SC(=O)NC4=O)ccc(OC)c32)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.52
▸ ESRRA P11474 5/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HPGD P15428 3/20 0.45
▸ PTPN1 P18031 2/20 0.44
▸ ENPP2 Q13822 2/20 0.43
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PARP1 P09874 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
SCHEMBL96966 1.00 PIM1 (0.52) PIM1ESRRACYP3A4TDP1KMT2A
SCHEMBL97248 0.84 HPGD (0.50) PIM1ESRRAKMT2AHPGDPTPN1
SCHEMBL97246 0.84 HPGD (0.50) PIM1ESRRAKMT2AHPGDPTPN1
SCHEMBL97131 0.83 ALDH1A1 (0.43) KMT2AHPGDPTPN1ENPP2
SCHEMBL96109 0.76 CA2 (0.44) KMT2AHPGDPTPN1ENPP2
SCHEMBL98322 0.75 NAT1 (0.49) PIM1TDP1KMT2AHPGDPTPN1
SCHEMBL98320 0.75 NAT1 (0.49) PIM1TDP1KMT2AHPGDPTPN1
SCHEMBL1250488 0.71 PARP1 (0.78) PIM1TDP1KMT2AHPGDPARP1
SCHEMBL1250489 0.71 PARP1 (0.78) PIM1TDP1KMT2AHPGDPARP1
SCHEMBL12891988 0.71 PARP1 (0.78) PIM1TDP1KMT2AHPGDPARP1

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 6 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-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 (2 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 PIM1 2121/4885ESRRA 900/4885CYP3A4 953/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PIM1 2121/4885ESRRA 900/4885CYP3A4 953/4885

“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.

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