SCHEMBL97974

SCHEMBL97974

O=C1NC(=S)SC1Cc1cccc2c1CCC(=O)N2Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.42
▸ POLB P06746 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ FFAR1 O14842 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ CHRM5 P08912 2/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MDH2 P40926 2/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32

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
SCHEMBL13598469 0.90 CA2 (0.42) CA2POLBKMT2AMDH2
SCHEMBL13598449 0.90 FFAR1 (0.44) CA2POLBHDAC1HDAC8HDAC6
SCHEMBL98188 0.90 CA2 (0.46) CA2POLBFFAR1MEN1KMT2A
SCHEMBL5284601 0.86 CA2 (0.39) CA2POLBMEN1KMT2AHTT
SCHEMBL13598471 0.86 CA2 (0.42) CA2POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL131181 0.86 CA2 (0.38) CA2POLBMEN1KMT2AHTT
SCHEMBL95693 0.86 CA2 (0.43) CA2POLBMEN1KMT2AGSK3B
SCHEMBL94320 0.72 CA2 (0.46) CA2POLBMEN1KMT2AHTT
SCHEMBL93500 0.72 PTP4A3 (0.53) —
SCHEMBL13598470 0.72 CA2 (0.51) CA2POLBHDAC1HDAC8HDAC6

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 CA2 254/4885POLB 4329/4885HDAC1 1814/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA2 254/4885POLB 4329/4885HDAC1 1814/4885

“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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