SCHEMBL98120

SCHEMBL98120

COc1ccc(C=O)c2c1N(Cc1ccc(-c3ccsc3)nc1)C(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ ERN1 O75460 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ KMT2A Q03164 1/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ ECE1 P42892 2/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
Pyridine SCHEMBL5250455 0.86 CYP11B1 (0.34) CYP11B1CYP11B2P2RX3
SCHEMBL97263 0.84 CYP11B1 (0.38) CYP11B1CYP11B2NPC1P2RX3KMT2A
SCHEMBL5301145 0.80 CYP11B1 (0.35) CYP11B1CYP11B2NPC1P2RX3KMT2A
SCHEMBL97250 0.76 BRD4 (0.48) KMT2AALDH1A1BRD4
SCHEMBL97451 0.75 BRD4 (0.35) BRD4
SCHEMBL5297293 0.75 BRD4 (0.47) KMT2AALDH1A1BRD4
SCHEMBL5297286 0.74 BRD4 (0.46) KMT2AALDH1A1BRD4
SCHEMBL97131 0.73 ALDH1A1 (0.43) ERN1NPC1KMT2AALDH1A1HPGD
SCHEMBL98450 0.72 ALDH1A1 (0.37) NPC1KMT2AALDH1A1HPGD
SCHEMBL5289604 0.71 BRD4 (0.43) NPC1KMT2AALDH1A1BRD4

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 CYP11B1 472/4885CYP11B2 354/4885ERN1 3550/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP11B1 472/4885CYP11B2 354/4885ERN1 3550/4885

“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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