SCHEMBL7611703

SCHEMBL7611703

CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1C1CCC(O)C(O)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.54
▸ CCNT1 O60563 2/20 0.49
▸ CDK9 P50750 2/20 0.49
▸ TRPV4 Q9HBA0 15/20 0.41

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
SCHEMBL7611707 1.00 HDAC6 (0.54) HDAC6CCNT1CDK9TRPV4
SCHEMBL7612898 1.00 HDAC6 (0.54) HDAC6CCNT1CDK9TRPV4
SCHEMBL8592486 0.93 HDAC6 (0.58) HDAC6CCNT1CDK9TRPV4
SCHEMBL8545269 0.93 HDAC6 (0.58) HDAC6CCNT1CDK9TRPV4
SCHEMBL17864250 0.79 HDAC6 (0.61) HDAC6CCNT1CDK9TRPV4
SCHEMBL7636868 0.79 CCNT1 (0.45) HDAC6CCNT1CDK9
SCHEMBL7608516 0.79 CCNT1 (0.45) HDAC6CCNT1CDK9
SCHEMBL7608514 0.79 CCNT1 (0.45) HDAC6CCNT1CDK9
SCHEMBL7611727 0.79 CCNT1 (0.45) HDAC6CCNT1CDK9
SCHEMBL17864240 0.78 HDAC6 (0.60) HDAC6CCNT1CDK9TRPV4

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-20020094963-A1 BENZIMIDAZOLE DERIVATIVES GLAXO WELLCOME INC. 2002-07-18 — — 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-20020094963-A1 BENZIMIDAZOLE DERIVATIVES ZC3HAV1, BRPF3, BRD3 HDAC6 44/4885CCNT1 483/4885CDK9 138/4885

“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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