SCHEMBL670929

SCHEMBL670929

Cc1c(Sc2cccc(C(=O)NCC[N+](C)(C)C)c2)c2ccc(Br)cc2n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLA2G2A P14555 1/20 0.40
MAPT P10636 3/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
PPARG P37231 2/20 0.39
KMT2A Q03164 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL15026675 0.91 L3MBTL1 (0.48) ENPP2THRBNPC1RAB9APLA2G2A
SCHEMBL10289601 0.90 PLA2G2A (0.43) ENPP2THRBNPC1RAB9APLA2G2A
SCHEMBL10289423 0.88 TMEM97 (0.44) ENPP2THRBNPC1RAB9APLA2G2A
SCHEMBL671653 0.85 ENPP2 (0.57) ENPP2PLA2G2AEDNRBEDNRA
SCHEMBL671377 0.83 MAPK8 (0.50) ENPP2THRBPLA2G2AMAPTEDNRB
SCHEMBL670612 0.74 ENPP2 (0.73) ENPP2PLA2G2AMAPTEDNRBEDNRA
SCHEMBL670484 0.74 ENPP2 (0.57) ENPP2PLA2G2AMAPTEDNRBEDNRA
SCHEMBL672148 0.74 ENPP2 (0.57) ENPP2PLA2G2AEDNRBEDNRAPPARG
SCHEMBL670810 0.73 ENPP2 (0.59) ENPP2THRBPLA2G2AMAPTEDNRB
SCHEMBL15024256 0.73 PTGDR2 (0.52) ENPP2PLA2G2AMAPTEDNRBEDNRA

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-9000025-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2015-04-07 US claimed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US claimed
US-9849109-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
EP-2606031-B1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2017-09-27 EP disclosed
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2015-06-18 US disclosed
US-9000025-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
EP-2606031-A2 AUTOTAXIN INHIBITORS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-06-26 EP disclosed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 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-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 ENPP2 1/4885THRB 2590/4885NPC1 2339/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 ENPP2 1/4885THRB 2590/4885NPC1 2339/4885

“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.