SCHEMBL15810312

SCHEMBL15810312

CNc1ccc(/C=C/c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.61
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
HBB P68871 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 2/20 0.52
KDM1A O60341 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL28223763 1.00 APP (0.61) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19003408 0.86 APP (0.77) APPKCNH2MAT2A
SCHEMBL900823 0.86 APP (0.77) APPKCNH2MAT2A
SCHEMBL9680312 0.86 APP (0.77) APPKCNH2MAT2A
SCHEMBL9678907 0.86 APP (0.77) APPKCNH2MAT2A
SCHEMBL21005809 0.84 CYP3A4 (0.51) APPSMN1; SMN2NPC1RAB9AMAPT
Glycine SCHEMBL3709181 0.83 APP (0.49) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL135604 0.81 MAPT (0.65) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL9966009 0.81 MAPT (0.65) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL9679312 0.79 APP (0.68) APPKCNH2MAT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 US disclosed
WO-2014090364-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2014-06-19 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-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 APP 161/4885SMN1; SMN2 328/4885NPC1 382/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 APP 161/4885SMN1; SMN2 328/4885NPC1 382/4885

“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.