SCHEMBL3602427

SCHEMBL3602427

O=C(CCCCCNC(=O)Cc1csc(N(C(=O)O)C(F)(F)c2ccc(F)c(F)c2F)n1)NO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.38
HDAC1 Q13547 13/20 0.38
HDAC3 O15379 11/20 0.38
HDAC2 Q92769 11/20 0.38
HDAC8 Q9BY41 11/20 0.38
HDAC4 P56524 10/20 0.38
HDAC7 Q8WUI4 10/20 0.38
HDAC10 Q969S8 10/20 0.38
HDAC11 Q96DB2 10/20 0.38
HDAC9 Q9UKV0 10/20 0.38
HDAC5 Q9UQL6 10/20 0.38
PDE5A O76074 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37

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
SCHEMBL3618266 0.97 HDAC6 (0.35) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3602422 0.76 PDE5A (0.42) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3602430 0.75 HDAC6 (0.38) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3602419 0.73 PDE5A (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3604245 0.72 MEN1 (0.46)
SCHEMBL3618263 0.72 PDE5A (0.39) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3618272 0.71 HDAC6 (0.35) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3610532 0.70 HDAC1 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3600706 0.69 PDE5A (0.43) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5602775 0.68 PDE5A (0.62) HDAC6HDAC1HDAC3HDAC2HDAC8

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 HDAC6 90/4885HDAC1 307/4885HDAC3 255/4885

“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.