SCHEMBL16915477

SCHEMBL16915477

COc1ccccc1/C=C/c1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NFE2L2 Q16236 5/20 0.51
▸ TRPA1 O75762 1/20 0.51
▸ CYP1A1 P04798 5/20 0.50
▸ CYP1A2 P05177 5/20 0.50
▸ CYP1B1 Q16678 5/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CAPN1 P07384 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47

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
SCHEMBL16915478 1.00 RAB9A (0.55) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL19076160 0.83 NPC1 (0.74) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL16915450 0.81 KMT2A (0.47) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL16915451 0.81 KMT2A (0.47) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL23743152 0.81 CYP1A1 (0.63) KDM4EMAPTMAPK1NFE2L2CYP1A1
SCHEMBL11634272 0.81 RAB9A (0.41) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL11634270 0.81 RAB9A (0.41) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL11633305 0.80 CHRNB2 (0.47) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL11633301 0.80 CHRNB2 (0.47) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL19076267 0.79 NFE2L2 (0.53) RAB9ANPC1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326122-A1 Anti-Angiogenic Compounds UNIVERSITY COLLEGE DUBLIN - NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-11-10 — — US claimed
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 — — US disclosed
US-9975860-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2018-05-22 — — US disclosed
US-9975860-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2018-05-22 — — US disclosed
US-9975860-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2018-05-22 — — 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
EP-3094625-A1 ANTI-ANGIOGENIC COMPOUNDS University College Dublin National University Of Ireland, Dublin (IE) 2016-11-23 — — EP disclosed
US-20160326122-A1 Anti-Angiogenic Compounds UNIVERSITY COLLEGE DUBLIN - NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-11-10 — — US disclosed
US-20160326122-A1 Anti-Angiogenic Compounds UNIVERSITY COLLEGE DUBLIN - NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-11-10 — — US disclosed
US-20160326122-A1 Anti-Angiogenic Compounds UNIVERSITY COLLEGE DUBLIN - NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-11-10 — — US disclosed
WO-2015107122-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN - NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-07-23 — — 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 (3 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 RAB9A 152/4885NPC1 382/4885KDM4E 4649/4885
US-20160326122-A1 Anti-Angiogenic Compounds VEGFA, FLT4, FLT1 RAB9A 1177/4885NPC1 3155/4885KDM4E 4170/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 RAB9A 152/4885NPC1 382/4885KDM4E 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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