SCHEMBL13102007

SCHEMBL13102007

CCc1nc2cc(C(F)(F)F)ccc2c(=O)n1NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RORC P51449 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CSNK1D P48730 3/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CXCR3 P49682 1/20 0.38

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
SCHEMBL13102278 0.94 ALDH1A1 (0.42) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL13102209 0.92 TRPV1 (0.39) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL13102382 0.91 HDAC6 (0.47) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL13102018 0.91 NPSR1 (0.48) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL13102008 0.90 ALDH1A1 (0.39) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL3066018 0.90 HDAC1 (0.47) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL13102014 0.90 KDM4E (0.42) HDAC6ALDH1A1LMNAHTTMEN1
SCHEMBL13102374 0.89 CSNK1D (0.45) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13102260 0.88 KDM4E (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL13102246 0.87 ALDH1A1 (0.46) HDAC6HDAC1HDAC2HDAC11HDAC8

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-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 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-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 HDAC6 204/4885HDAC1 639/4885HDAC2 756/4885

“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.