SCHEMBL708946

SCHEMBL708946

Oc1ccccc1C=Cc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ATM Q13315 1/20 0.64
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
ECE2 P0DPD6 2/20 0.54
TRPA1 O75762 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
NFKB1 P19838 2/20 0.47
JUN P05412 1/20 0.47
NFE2L2 Q16236 1/20 0.47
GRM4 Q14833 1/20 0.46

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
SCHEMBL708945 1.00 NPC1 (0.64) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL16915473 0.98 NPC1 (0.61) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL16915472 0.98 NPC1 (0.61) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29167691 0.85 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29167694 0.85 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28360788 0.83 NFKB1 (0.71) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9791652 0.82 RAB9A (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9791651 0.82 RAB9A (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL16915457 0.82 RAB9A (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL16915466 0.82 TRPA1 (0.55) NPC1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975860-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2018-05-22 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
WO-2015107122-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN - NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-07-23 WO disclosed
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 US disclosed
EP-0559695-B1 NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-22 EP disclosed
EP-0545409-B1 Liquid crystals with end groups containing more than one silane group CONSORTIUM ELEKTROCHEM IND (DE) 1996-03-06 EP disclosed
US-5399575-A Antiallergens BOEHRINGER MANNHEIM GMBH (DE) 1995-03-21 US disclosed
US-5399290-A Liquid crystals with (polysila) alkyl wing groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1995-03-21 US disclosed
EP-0559695-A1 NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS. BOEHRINGER MANNHEIM GMBH (DE) 1993-09-15 EP disclosed
EP-0545409-A1 Liquid crystals with end groups containing more than one silane group Consortium für elektrochemische Industrie GmbH (DE) 1993-06-09 EP disclosed
WO-1992009598-A1 NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER MANNHEIM GMBH (DE) 1992-06-11 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB NPC1 19/4885RAB9A 4723/4885MEN1 3997/4885
US-20160326122-A1 Anti-Angiogenic Compounds VEGFA, FLT4, FLT1 NPC1 3155/4885RAB9A 1177/4885MEN1 3923/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885MEN1 3163/4885

“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.