SCHEMBL3282129

SCHEMBL3282129

NC(Cc1cccc(F)c1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.43
LMNA P02545 1/20 0.43
ROCK1 Q13464 1/20 0.43
PKM P14618 1/20 0.41
KCNA5 P22460 5/20 0.41
KCNH2 Q12809 3/20 0.41
TAAR1 Q96RJ0 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39

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
SCHEMBL3282271 0.83 POLB (0.43) SLC1A1KCNA5KCNH2GAA
SCHEMBL12706104 0.82 SLC1A1 (0.51) SLC1A1TAAR1IDO1AGXT
SCHEMBL2477113 0.81 CYP2D6 (0.55) LMNAKCNA5KCNH2
SCHEMBL3282231 0.81 SLC1A1 (0.54) SLC1A1TAAR1KMT2AIDO1AGXT
Hydrochloric Acid SCHEMBL6633931 0.80 CYP2D6 (0.54) KCNA5KCNH2
Hydrochloric Acid SCHEMBL4749612 0.80 SLC1A1 (0.53) SLC1A1TAAR1KMT2AIDO1AGXT
SCHEMBL3284710 0.78 DPP4 (0.63) KCNA5KCNH2
SCHEMBL1156843 0.77 DPP4 (0.47) SLC1A1ROCK1CYP11B1CYP11B2IDO1
SCHEMBL20476844 0.77 CYP3A4 (0.50) LMNAKCNH2KMT2A
SCHEMBL7751616 0.76 CYP11B1 (0.42) KCNA5KCNH2CYP11B1CYP11B2

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 3 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
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 SLC1A1 981/4885LMNA 2047/4885ROCK1 1572/4885

“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.