SCHEMBL96366

SCHEMBL96366

Cc1ccc(OCCCN2C(=O)CCc3c(CC4SC(=O)NC4=O)cccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.46
▸ PPARG P37231 8/20 0.40
▸ FFAR1 O14842 7/20 0.40
▸ CA2 P00918 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL97390 0.85 CHRM1 (0.38) HRH3PPARGCA2MAPT
SCHEMBL95362 0.78 DRD2 (0.36) CA2ALDH1A1MAPTCYP3A4HPGD
SCHEMBL13598463 0.77 GRIN2B (0.41) ALDH1A1MAPTCYP1A2CYP3A4MEN1
SCHEMBL97366 0.77 NMT1 (0.35) PPARGCA2MAPT
SCHEMBL13598469 0.75 CA2 (0.42) CA2ALDH1A1KMT2APOLB
SCHEMBL13598449 0.74 FFAR1 (0.44) HRH3PPARGFFAR1CA2ALDH1A1
SCHEMBL13598451 0.74 CHRM1 (0.35) HRH3CA2ALDH1A1
SCHEMBL13598450 0.72 PPARG (0.41) PPARGFFAR1CA2MAPTHPGD
SCHEMBL13602443 0.70 CA2 (0.48) HRH3PPARGFFAR1CA2ALDH1A1
SCHEMBL97563 0.69 CA2 (0.40) HRH3PPARGFFAR1CA2PPARA

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 HRH3 303/4885PPARG 1682/4885FFAR1 505/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HRH3 303/4885PPARG 1682/4885FFAR1 505/4885

“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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