SCHEMBL15524906

SCHEMBL15524906

Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 7/20 0.43
EPHX2 P34913 5/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNT1 Q5JUK3 2/20 0.41
HDAC6 Q9UBN7 4/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL21237540 0.92 NPC1 (0.50) KDM4EALDH1A1NPC1MAPTMAPK1
SCHEMBL15525689 0.87 NR1H3 (0.44) ALOX5EPHX2KCNT1HDAC6HDAC1
SCHEMBL5780419 0.85 ALOX5 (0.55) ALDH1A1ALOX5EPHX2RAB9AKCNT1
SCHEMBL31577322 0.85 ALOX5 (0.55) ALDH1A1ALOX5EPHX2RAB9AKCNT1
SCHEMBL7476041 0.81 ALOX5 (0.48) KDM4EALDH1A1ALOX5EPHX2MAPT
SCHEMBL20776921 0.81 KCNT1 (0.45) KDM4EALDH1A1EPHX2NPC1MAPT
SCHEMBL15525682 0.80 HDAC1 (0.48) NPC1MAPTMAPK1RAB9ANPSR1
SCHEMBL6840333 0.80 ALOX5 (0.55) ALOX5EPHX2HDAC6HDAC1HDAC8
SCHEMBL21237482 0.79 PTGER4 (0.44) KDM4EALDH1A1HDAC6HDAC1HDAC8
SCHEMBL15524921 0.79 DRD4 (0.47) KDM4EALDH1A1ALOX5EPHX2NPC1

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 9 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-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
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
EP-2844247-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 WO 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 KDM4E 2005/4885ALDH1A1 1153/4885ALOX5 3468/4885

“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.