SCHEMBL12892347

SCHEMBL12892347

CCC(N)C(=O)Nc1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPT P10636 1/20 0.56
▸ POLB P06746 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.50
▸ SPHK1 Q9NYA1 5/20 0.49
▸ KIF11 P52732 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ AAK1 Q2M2I8 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47

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
SCHEMBL29410408 0.86 MAPT (0.56) ALDH1A1MAPTPOLBTDP1SPHK1
SCHEMBL28717992 0.86 MAPT (0.56) ALDH1A1MAPTPOLBTDP1SPHK1
SCHEMBL12997448 0.86 SPHK1 (0.60) ALDH1A1MAPTPOLBTDP1SPHK1
SCHEMBL10878244 0.86 CA1 (0.50) ALDH1A1MAPTSPHK1CA1CA2
SCHEMBL370590 0.84 CRHBP (0.59) SPHK1RAB9ASPHK2
SCHEMBL10791327 0.84 MEN1 (0.60) ALDH1A1MAPTPOLB
SCHEMBL14209990 0.84 MEN1 (0.60) ALDH1A1MAPTPOLB
SCHEMBL5270163 0.84 MEN1 (0.60) ALDH1A1MAPTPOLB
SCHEMBL15061148 0.83 HSD17B10 (0.63) ALDH1A1POLBSPHK1KDM4ECA1
SCHEMBL6518397 0.83 AAK1 (0.67) MAPTPOLBAAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-17 — — 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 (1 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-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, ROCK2 ALDH1A1 1502/4885MAPT 3009/4885POLB 3430/4885

“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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