SCHEMBL15601409

SCHEMBL15601409

CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.65
KCNQ2 O43526 2/20 0.65
KCNQ4 P56696 2/20 0.65
KCNQ5 Q9NR82 2/20 0.65
EPHX2 P34913 10/20 0.62
NR1H4 Q96RI1 3/20 0.62
MAOB P27338 1/20 0.49
ALOX5 P09917 2/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
RORC P51449 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL17154046 0.92 KCNQ3 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL17154061 0.89 KCNQ3 (0.66) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL15601466 0.88 KCNQ3 (0.65) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL6086484 0.86 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL28046571 0.86 HDAC8 (0.58) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL15601431 0.86 KCNQ3 (0.63) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL28046564 0.85 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL6085966 0.85 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL15601449 0.85 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2
SCHEMBL15601460 0.84 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2

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.