SCHEMBL2964659

SCHEMBL2964659

CNC(=O)c1ccc2nc(-c3ccccc3-c3nc(C)c(C)[nH]3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.60
▸ HDAC3 O15379 4/20 0.60
▸ HDAC1 Q13547 2/20 0.60
▸ HDAC8 Q9BY41 2/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ CHEK2 O96017 4/20 0.58
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ DGAT1 O75907 1/20 0.47
▸ NPY5R Q15761 1/20 0.46

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
SCHEMBL13221011 0.88 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203541 0.88 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13220946 0.86 BRD4 (0.58) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203552 0.86 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203549 0.84 HDAC6 (0.53) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203545 0.84 KDM4E (0.59) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13221021 0.84 HDAC6 (0.52) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203544 0.83 HDAC6 (0.52) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13220950 0.83 HDAC6 (0.58) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13203499 0.79 NPC1 (0.68) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 — — US disclosed
US-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 — — US disclosed
US-20050038067-A1 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2005-02-17 — — US disclosed
WO-2005002503-A2 ASYMMETRIC BENZIMIDAZOLES AND RELATED COMPOUNDS AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2005-01-13 — — WO 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-20050038067-A1 Asymmetric benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNJ1, KCNJ11 HDAC6 447/4885HDAC3 262/4885HDAC1 539/4885

“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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