SCHEMBL15601469

SCHEMBL15601469

CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
HDAC6 Q9UBN7 9/20 0.53
HDAC1 Q13547 8/20 0.53
ALOX5 P09917 5/20 0.52
EPHX2 P34913 4/20 0.52
KCNT1 Q5JUK3 1/20 0.52
HDAC8 Q9BY41 6/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
HDAC10 Q969S8 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.48
OPRM1 P35372 1/20 0.48

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
SCHEMBL15524913 0.94 ALOX5 (0.59) MAPTHDAC6ALOX5EPHX2KCNT1
SCHEMBL17154059 0.91 ALOX5 (0.52) MAPTHDAC6HDAC1ALOX5EPHX2
SCHEMBL15526096 0.91 ALOX5 (0.52) HDAC6HDAC1ALOX5EPHX2KCNT1
SCHEMBL22771522 0.90 HDAC6 (0.53) MAPTHDAC6HDAC1ALOX5EPHX2
SCHEMBL15601416 0.90 ALOX5 (0.53) HDAC6HDAC1ALOX5EPHX2KCNT1
SCHEMBL15601465 0.90 ALOX5 (0.52) MAPTHDAC6HDAC1ALOX5EPHX2
SCHEMBL17154044 0.89 ALOX5 (0.52) HDAC6HDAC1ALOX5EPHX2KCNT1
SCHEMBL15601491 0.88 HDAC6 (0.52) MAPTHDAC6HDAC1ALOX5EPHX2
SCHEMBL21237727 0.87 ALOX5 (0.51) MAPTHDAC6HDAC1ALOX5EPHX2
SCHEMBL17702506 0.86 ALOX5 (0.49) HDAC6HDAC1ALOX5EPHX2KCNT1

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 MAPT 2512/4885HDAC6 501/4885HDAC1 583/4885

“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.