SCHEMBL19076160

SCHEMBL19076160

COc1ccccc1/C=C/c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.74
▸ RAB9A P51151 5/20 0.74
▸ KDM4E B2RXH2 5/20 0.74
▸ MAPT P10636 3/20 0.74
▸ GAA P10253 2/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ NFE2L2 Q16236 6/20 0.58
▸ TRPA1 O75762 1/20 0.58
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ATM Q13315 1/20 0.57
▸ PTGS1 P23219 2/20 0.55
▸ PTGS2 P35354 2/20 0.55
▸ CYP1A1 P04798 3/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP1B1 Q16678 3/20 0.53
▸ CYP19A1 P11511 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ DHFR P00374 1/20 0.50
▸ TFEB P19484 1/20 0.50

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
SCHEMBL11070944 0.86 KDM4E (0.60) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL19076184 0.84 NFE2L2 (0.59) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL28347777 0.84 NFE2L2 (0.59) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL16915478 0.83 RAB9A (0.55) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL16915477 0.83 RAB9A (0.55) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL28249887 0.83 KDM4E (0.57) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL14401506 0.83 MAPT (0.61) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL4019329 0.82 NFE2L2 (0.79) NPC1RAB9AKDM4EMAPTMAPK1
SCHEMBL1603719 0.82 NFE2L2 (0.79) NPC1RAB9AKDM4EMAPTMAPK1
SCHEMBL7915752 0.82 NFE2L2 (0.79) NPC1RAB9AKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041904-B1 STYRYL SULFIDE DYES BASF SE (DE) 2020-05-20 — — EP disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 — — 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-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 NPC1 382/4885RAB9A 152/4885KDM4E 4649/4885

“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.

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