SCHEMBL976666

SCHEMBL976666

CC(C)NC(=O)c1nc2c(s1)CN(C(N)=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ GRM5 P41594 7/20 0.40
▸ GRAMD1A Q96CP6 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ F10 P00742 7/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL978100 0.76 F10 (0.52) HDAC3HDAC1HDAC6F10ALOX15
SCHEMBL26420713 0.76 DPP4 (0.48) GRM5NPC1RAB9A
SCHEMBL976678 0.75 NPC1 (0.42) GRM5NPC1RAB9AF10
SCHEMBL10825515 0.74 RAD52 (0.48) GRM5GRAMD1ANPC1RAB9AALDH1A1
SCHEMBL975378 0.73 HDAC3 (0.46) HDAC3HDAC1HDAC6NPC1RAB9A
SCHEMBL29397882 0.72 ADRA2A (0.49) GRM5GRAMD1ANPC1RAB9A
SCHEMBL10764703 0.71 GRAMD1A (0.43) GRAMD1ANPC1RAB9AALOX15TSHR
Dimethylamine SCHEMBL10825447 0.71 DPP4 (0.43) GRM5NPC1RAB9A
SCHEMBL741569 0.71 F10 (0.56) F10
SCHEMBL31143542 0.70 ADORA1 (0.51) GRAMD1AF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — US claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC6 11/4885

“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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