SCHEMBL13527770

SCHEMBL13527770

NCc1cc(F)c(CN)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.42
DPP4 P27487 4/20 0.39
TAAR1 Q96RJ0 3/20 0.36
MEN1 O00255 2/20 0.36
RAD52 P43351 2/20 0.36
RECQL P46063 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAPDH P04406 1/20 0.36
THRB P10828 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
MPO P05164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL620594 0.94 DPP4 (0.46) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL31346729 0.87 LOXL2 (0.42) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL29467943 0.87 ALDH1A1 (0.37) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL4889962 0.87 ALDH1A1 (0.37) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL856202 0.84 KDM1A (0.44) LOXL2DPP4TAAR1IDO1AGXT
SCHEMBL30139656 0.81 PNMT (0.41) LOXL2DPP4TAAR1MEN1KMT2A
SCHEMBL29467970 0.81 ALDH1A1 (0.37) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL21196392 0.81 PRKCE (0.39) LOXL2DPP4TAAR1MEN1RECQL
SCHEMBL28203241 0.81 LOXL2 (0.32) LOXL2DPP4
SCHEMBL3161291 0.79 TRPV4 (0.50) LOXL2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 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 (2 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-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC LOXL2 952/4885DPP4 2444/4885TAAR1 1333/4885
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 LOXL2 3736/4885DPP4 3339/4885TAAR1 3402/4885

“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.