SCHEMBL708945

SCHEMBL708945

Oc1ccccc1/C=C/c1ccccn1

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
SCHEMBL708946 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190187557-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE-MAKING METHOD USING SAME FUJIFILM CORPORATION (JP) 2019-06-20 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 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-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 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
EP-0347800-B1 Toner for electrostatic images MITSUBISHI GAS CHEMICAL CO (JP) 1995-02-22 EP disclosed
EP-0290860-B1 Thermosetting resin composition MITSUBISHI GAS CHEMICAL CO (JP) 1995-01-25 EP 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
WO-1992009598-A1 NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER MANNHEIM GMBH (DE) 1992-06-11 WO disclosed
US-4945138-A Styrylaza vinyl esters THE DOW CHEMICAL COMPANY (US) 1990-07-31 US disclosed
US-4904760-A HEAT AND CHEMICAL RESISTANCE LOW DIELECTRIC MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1990-02-27 US disclosed
EP-0347800-A2 Toner for electrostatic images MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-12-27 EP disclosed
US-4883844-A FROM AROMATIC ALDEHYDE AND SUBSTITUTED PYRIDINE THE DOW CHEMICAL COMPANY (US) 1989-11-28 US disclosed
US-4851483-A FROM EPOXIDIZED HYDROXYSTYRYLAZA COMPOUNDS DERIVED FROM AROMATIC HYDROXYALDEHYDES AND METHYLATED PYRIDINES OR PYRAZINES THE DOW CHEMICAL COMPANY (US) 1989-07-25 US disclosed
EP-0290860-A2 Thermosetting resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-11-17 EP 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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 NPC1 2934/4885RAB9A 4667/4885MEN1 4500/4885
US-20160326122-A1 Anti-Angiogenic Compounds VEGFA, FLT4, FLT1 NPC1 3155/4885RAB9A 1177/4885MEN1 3923/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB NPC1 1960/4885RAB9A 4089/4885MEN1 3749/4885

“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.