SCHEMBL38673

SCHEMBL38673

[c]1nc2c(-c3cc4ccccc4[nH]3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDR P35968 2/20 0.47
CHEK1 O14757 1/20 0.47
NPC1 O15118 4/20 0.45
ESR1 P03372 3/20 0.44
AURKA O14965 2/20 0.44
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4623912 0.78 METAP2 (0.35) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL6489268 0.76 BCHE (0.40) RAB9AKDM4EMAPTALDH1A1HPGD
SCHEMBL5051826 0.76 KDR (0.68) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL7081757 0.75 APP (0.41) CYP19A1BRD4CREBBP
SCHEMBL1404094 0.75 RAB9A (0.45) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL26053434 0.75 ITK (0.60) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL10176240 0.75 KDR (0.61) RAB9AKDM4EMAPTMEN1KMT2A
Benzene SCHEMBL27629233 0.74 RAB9A (0.69) RAB9AKDM4EMAPTMEN1KMT2A
Methane SCHEMBL28704887 0.74 KDR (0.66) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL6746143 0.74 NPC1 (0.55) RAB9AKDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4834663-B2 2011-12-14 JP claimed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US claimed
JP-2008502692-A 2008-01-31 JP claimed
EP-1773775-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-18 EP claimed
US-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; BRISTOL-MYERS SQUIBB COMPANY 2006-01-12 US claimed
WO-2005123680-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 WO claimed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US claimed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
EP-0001769-A1 Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use BAYER AG (DE) 1979-05-16 EP claimed
US-20200113830-A1 PEGYLATED LIPOSOMES FOR DELIVERY OF IMMUNOGEN-ENCODING RNA GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2020-04-16 US disclosed
US-10202400-B2 Cortistatin analogues and syntheses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-12 US disclosed
EP-3271015-A1 NK-3 RECEPTOR ANTAGONISTS FOR THERAPEUTIC OR COSMETIC TREATMENT OF EXCESS BODY FAT OGEDA S.A. (BE) 2018-01-24 EP disclosed
US-20170320886-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-11-09 US disclosed
US-9714255-B2 Cortistatin analogues and syntheses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-07-25 US disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
EP-0302793-A2 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same ELF SANOFI (FR) 1989-02-08 EP disclosed
EP-0001769-A1 Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use BAYER AG (DE) 1979-05-16 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 (4 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-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; F12, F11, F2 RAB9A 2816/4885KDM4E 247/4885MAPT 4095/4885
US-20200113830-A1 PEGYLATED LIPOSOMES FOR DELIVERY OF IMMUNOGEN-ENCODING RNA LY96, EXOSC5, EXOSC4 RAB9A 1163/4885KDM4E 1854/4885MAPT 2697/4885
US-10202400-B2 Cortistatin analogues and syntheses thereof CTTN, TEK, FLT1 RAB9A 968/4885KDM4E 3276/4885MAPT 3439/4885
US-20170320886-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 RAB9A 968/4885KDM4E 3276/4885MAPT 3439/4885

“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.