SCHEMBL3285388

SCHEMBL3285388

NC(Cc1ccccc1)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.53
EPHX1 P07099 1/20 0.50
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ANPEP P15144 1/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 2/20 0.42
ALPI P09923 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42

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
SCHEMBL7319840 0.78 MIF (0.51) MIFEPHX1SLC6A2TAAR1MAOA
SCHEMBL7319847 0.78 MIF (0.51) MIFEPHX1SLC6A2TAAR1MAOA
SCHEMBL2285915 0.78 TACR1 (0.41) MIFANPEPCYP2C19
SCHEMBL7319842 0.78 MIF (0.51) MIFEPHX1SLC6A2TAAR1MAOA
SCHEMBL9764695 0.78 MIF (0.59) MIFL3MBTL1MAPTPKMGAA
SCHEMBL7578243 0.78 MIF (0.59) MIFL3MBTL1MAPTPKMGAA
SCHEMBL28682937 0.76 KMT2A (0.40) MIFTAAR1L3MBTL1MAPTPKM
SCHEMBL11482615 0.76 MIF (0.57) MIFEPHX1CYP2D6L3MBTL1MAPT
SCHEMBL5810409 0.74
SCHEMBL9826562 0.73 EPHX1 (0.63) MIFEPHX1SLC6A2TAAR1MAOA

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-3008049-A1 PROCESS FOR THE PRODUCTION OF FURANIC COMPOUNDS COMPRISING AT LEAST ONE AMINE FUNCTION Rhodia Operations (FR) 2016-04-20 EP disclosed
WO-2014198057-A1 PROCESS FOR THE PRODUCTION OF FURANIC COMPOUNDS COMPRISING AT LEAST ONE AMINE FUNCTION RHODIA OPERATIONS (FR) 2014-12-18 WO disclosed
EP-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
US-7709507-B2 Therapeutic fluoroethyl ureas ALLERGAN, INC. (US) 2010-05-04 US disclosed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. 2007-11-22 US 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-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS SLC14A1, MAPT, UTS2R MIF 3654/4885EPHX1 3464/4885SLC6A2 716/4885

“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.