SCHEMBL3282252

SCHEMBL3282252

Cc1cccc(C(N)Cc2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.43
NOS2 P35228 2/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPKAPK2 P49137 1/20 0.40
DPP4 P27487 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
AOC3 Q16853 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 2/20 0.38
ROCK2 O75116 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
VNN1 O95497 1/20 0.36

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
SCHEMBL3282110 0.85 TAAR1 (0.52) NOS1NOS2SLC6A2SLC6A4SLC6A3
SCHEMBL3282177 0.83 NOS1 (0.44) NOS1NOS2SLC6A2SLC6A4SLC6A3
SCHEMBL3282101 0.81 ALDH1A1 (0.41) NOS1NOS2LOXL2AOC3CYP1A2
SCHEMBL1157274 0.81 PNMT (0.45) SLC6A2SLC6A4SLC6A3DPP4LOXL2
SCHEMBL12672176 0.81 SLC6A4 (0.42) NOS1NOS2SLC6A2SLC6A4SLC6A3
SCHEMBL1156843 0.81 DPP4 (0.47) SLC6A2SLC6A4SLC6A3DPP4LOXL2
SCHEMBL1157043 0.79 SLC6A4 (0.60) SLC6A2SLC6A4SLC6A3DPP4CYP1A2
Hydrochloric Acid SCHEMBL9322405 0.78 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3DPP4CYP2D6
Hydrochloric Acid SCHEMBL9322527 0.78 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3DPP4CYP2D6
SCHEMBL9306936 0.77 DPP4 (0.55) SLC6A2SLC6A4SLC6A3DPP4LOXL2

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
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 NOS1 3412/4885NOS2 3148/4885SLC6A2 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.