SCHEMBL15601460

SCHEMBL15601460

CCCc1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
KCNQ4 P56696 2/20 0.56
KCNQ5 Q9NR82 2/20 0.56
RORC P51449 8/20 0.52
MAOB P27338 2/20 0.50
EPHX2 P34913 7/20 0.49
ALOX5 P09917 2/20 0.48
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOA P21397 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
SCHEMBL17154068 0.88 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL6086484 0.88 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL28046571 0.88 HDAC8 (0.58) KCNQ3KCNQ2KCNQ4KCNQ5MAOB
SCHEMBL28046564 0.86 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL6085966 0.86 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL28046562 0.85 HDAC8 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5MAOB
SCHEMBL15601501 0.85 KCNQ3 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL15601447 0.84 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5MAOB
SCHEMBL15601462 0.84 EPHX2 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL15601409 0.84 KCNQ3 (0.65) KCNQ3KCNQ2KCNQ4KCNQ5RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 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-20150284366-A1 ROR MODULATORS AND THEIR USES RORA, RORB, RORC KCNQ3 3019/4885KCNQ2 3011/4885KCNQ4 3201/4885

“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.