SCHEMBL97263

SCHEMBL97263

COc1ccc(C2OCCO2)c2c1N(Cc1ccc(-c3ccsc3)nc1)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ P2RX3 P56373 4/20 0.36
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HCRTR1 O43613 3/20 0.32
▸ HCRTR2 O43614 3/20 0.32
▸ PDE4D Q08499 1/20 0.31
▸ CXCR3 P49682 3/20 0.31
▸ NPC1 O15118 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
SCHEMBL5301145 0.95 CYP11B1 (0.35) CYP11B1CYP11B2P2RX3KMT2AALDH1A1
SCHEMBL98120 0.84 CYP11B1 (0.40) CYP11B1CYP11B2P2RX3KMT2AALDH1A1
SCHEMBL98018 0.83 NPC1 (0.37) KMT2AALDH1A1POLBHCRTR1HCRTR2
SCHEMBL5305530 0.83 NPC1 (0.36) KMT2AALDH1A1POLBHCRTR1HCRTR2
SCHEMBL5305529 0.82 NPC1 (0.36) KMT2AALDH1A1POLBHCRTR1HCRTR2
SCHEMBL97993 0.78 HCRTR1 (0.34) ALDH1A1POLBHCRTR1HCRTR2PDE4D
Pyridine SCHEMBL5250455 0.72 CYP11B1 (0.34) CYP11B1CYP11B2P2RX3
SCHEMBL155093 0.60 CYP11B1 (0.56) CYP11B1CYP11B2NPC1
SCHEMBL97451 0.60 BRD4 (0.35) POLBHCRTR1HCRTR2PDE4D
SCHEMBL97439 0.60 POLB (0.42) KMT2AALDH1A1CYP1A2POLBCYP2C9

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 8 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
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 (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 354/4885P2RX3 3859/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP11B1 472/4885CYP11B2 354/4885P2RX3 3859/4885

“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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