SCHEMBL20367007

SCHEMBL20367007

Nc1cnc(-c2ccc(F)cc2)cc1NC(=O)N1CC2C=NC(N3CCC3)=CC2C1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 20/20 0.65
▸ HDAC1 Q13547 14/20 0.65
▸ HDAC3 O15379 2/20 0.45

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
SCHEMBL18379794 0.80 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL18379960 0.76 HDAC2 (0.68) HDAC2HDAC1HDAC3
SCHEMBL18379984 0.70 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL18380129 0.65 HDAC1 (1.00) HDAC2HDAC1HDAC3
SCHEMBL18379621 0.64 HDAC1 (0.69) HDAC2HDAC1HDAC3
SCHEMBL24202504 0.64 HDAC2 (0.58) HDAC2HDAC1HDAC3
SCHEMBL13833449 0.63 HDAC2 (0.78) HDAC2HDAC1HDAC3
SCHEMBL13833390 0.63 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL18379857 0.63 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL18273910 0.63 HDAC2 (0.80) HDAC2HDAC1HDAC3

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-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 — — 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-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 HDAC2 1/4885HDAC1 2/4885HDAC3 5/4885

“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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