SCHEMBL97876

SCHEMBL97876

O=C1CCc2cc(Br)ccc2N1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.67
▸ HDAC1 Q13547 6/20 0.67
▸ HDAC8 Q9BY41 5/20 0.67
▸ POLB P06746 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.47
▸ ALDH2 P05091 1/20 0.47
▸ ALDH3A1 P30838 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ FAAH O00519 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL15712170 0.92 HDAC1 (0.69) HDAC6HDAC1HDAC8POLBALDH1A1
SCHEMBL100136 0.82 POLB (0.56) HDAC6HDAC1HDAC8POLBBRD4
SCHEMBL26088987 0.81 HDAC1 (0.65) HDAC6HDAC1HDAC8POLBALDH1A1
SCHEMBL5769842 0.79 MGLL (0.65) POLBMEN1KMT2AFAAHMGLL
SCHEMBL29880702 0.79 POLB (0.68) HDAC6HDAC1HDAC8POLBBRD4
SCHEMBL28822883 0.79 POLB (0.68) HDAC6HDAC1HDAC8POLBBRD4
SCHEMBL31499254 0.79 MEN1 (0.62) HDAC6HDAC1HDAC8POLBALDH1A1
SCHEMBL15529030 0.78 HDAC6 (0.65) HDAC6HDAC1HDAC8POLBALDH1A1
Hydrochloric Acid SCHEMBL8880961 0.76 POLB (0.51) HDAC6HDAC1HDAC8POLBALDH1A1
SCHEMBL11062154 0.76 POLB (0.68) HDAC6HDAC1HDAC8POLBBRD4

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 HDAC6 2093/4885HDAC1 1814/4885HDAC8 3441/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HDAC6 2093/4885HDAC1 1814/4885HDAC8 3441/4885

“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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