SCHEMBL70355

SCHEMBL70355

[c]1nc(-c2ccccc2)ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 1/20 0.44
ADORA3 P0DMS8 4/20 0.41
ADORA2A P29274 4/20 0.41
ADORA1 P30542 4/20 0.41
ADORA2B P29275 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL7221447 0.78 NPC1 (0.41) NPC1RAB9AADORA3ADORA2AADORA1
SCHEMBL9106898 0.74 CLK4 (0.48) NPC1RAB9AADORA3SMN1; SMN2POLB
SCHEMBL57185 0.67 RAB9A (0.48) NPC1RAB9AMAPK1ADORA3ADORA2A
SCHEMBL18283689 0.64 KMT2A (0.41) NPC1RAB9AADORA2AADORA1SMN1; SMN2
SCHEMBL9322432 0.64 RAB9A (0.50) NPC1RAB9AMAPK1ADORA3ADORA2A
SCHEMBL1870772 0.64 L3MBTL1 (0.52) NPC1RAB9AMAPK1ADORA3ADORA2A
SCHEMBL3652642 0.63 NPC1 (1.00) NPC1RAB9AMAPK1ADORA3ADORA2A
SCHEMBL371042 0.63 L3MBTL1 (0.74) NPC1RAB9AMAPK1ADORA3ADORA2A
Biphenyl SCHEMBL9575461 0.61 ALDH1A1 (0.90) NPC1RAB9AMAPK1SMN1; SMN2NFKB1
SCHEMBL75848 0.61 L3MBTL1 (0.70) NPC1RAB9AMAPK1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 US claimed
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US claimed
EP-1694776-B2 DISPERSE DYES CLARIANT FINANCE BVI LTD (VG) 2013-08-14 EP claimed
US-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-09-22 US claimed
US-7875706-B2 for dyeing or printing or both a hydrophobic fibrous material; for pigmenting macromolecular organic materials of natural or synthetic origin CLARIANT FINANCE (BVI) LIMITED (VG) 2011-01-25 US claimed
EP-1694776-B1 DISPERSE DYES CLARIANT FINANCE BVI LTD (VG) 2010-09-08 EP claimed
WO-2010068452-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO claimed
EP-2164493-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-03-24 EP claimed
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-03-05 US claimed
WO-2008153752-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 WO claimed
EP-0275821-B1 SUBSTITUTED ALKANEDIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1992-02-26 EP claimed
US-5071841-A For prevention of bone reabsorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-10 US claimed
US-4948891-A ANTI-PLASMIN AND ANTI-THROMBIN AGENTS PFIZER INC. (US) 1990-08-14 US claimed
EP-0343894-A1 Benzamide protease inhibitors PFIZER INC. (US) 1989-11-29 EP claimed
EP-0101897-B1 HETEROCYCLIC COMPOUNDS BAYER AG (DE) 1988-06-15 EP claimed
US-4439362-A DISPERSE DYES, POLYESTERS SANDOZ LTD. (CH) 1984-03-27 US claimed
US-4307015-A DISPERSE DYES SANDOZ LTD. (CH) 1981-12-22 US claimed
US-4294581-A ANTHRAQUINONE DYES BASF AKTIENGESELLSCHAFT (DE) 1981-10-13 US claimed
US-4105653-A HETERYL-AZO-PHENYL DISPERSE DYESTUFFS CONTAINING A Z-SUBSTITUTED BENZOLYLOXYALKYL RADICAL, WHEREIN Z IS 2-CYANOVINYL 2-CYANOETHYL OR 2-CHLORO-2-CYANOETHYL PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-08-08 US claimed
US-4038268-A DIAZOTIZATION, COUPLING BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US claimed

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-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NPC1 1573/4885RAB9A 1675/4885MAPK1 4478/4885
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NPC1 1573/4885RAB9A 1675/4885MAPK1 4478/4885
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NPC1 1391/4885RAB9A 1709/4885MAPK1 4414/4885
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NPC1 1391/4885RAB9A 1709/4885MAPK1 4414/4885

“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.