SCHEMBL2588072

SCHEMBL2588072

Fc1cccc(C=NCc2cccc(F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
PKM P14618 1/20 0.58
MAPK1 P28482 1/20 0.58
THPO P40225 1/20 0.58
CHRM5 P08912 1/20 0.58
GRM5 P41594 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
MIF P14174 1/20 0.50
NFE2L2 Q16236 3/20 0.48
P2RX7 Q99572 4/20 0.45
TAAR1 Q96RJ0 2/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.42
MEN1 O00255 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
SCHEMBL2588068 1.00 NPC1 (0.58) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL15975292 0.83 NPC1 (0.51) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL11816386 0.77 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2TAAR1MEN1
SCHEMBL11816382 0.77 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2TAAR1MEN1
SCHEMBL25376938 0.75 SMN1; SMN2 (0.37) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL12017614 0.74 NPC1 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL12497017 0.74 NPC1 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL29392337 0.74 NPC1 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL7572363 0.74 NPC1 (0.56) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL29159464 0.74 MIF (0.49) CYP1A2CYP3A4CYP2D6MIFP2RX7

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-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 NPC1 116/4885RAB9A 2810/4885CYP1A2 883/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 NPC1 116/4885RAB9A 2810/4885CYP1A2 883/4885

“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.