SCHEMBL3078070

SCHEMBL3078070

c1ccc2[nH]c(-c3ccnc4ccccc34)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
ALDH1A1 P00352 9/20 1.00
KDM4E B2RXH2 8/20 1.00
HPGD P15428 7/20 1.00
HSD17B10 Q99714 5/20 1.00
MAPK1 P28482 1/20 1.00
HDAC6 Q9UBN7 1/20 0.61
IDO1 P14902 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.58
NPSR1 Q6W5P4 5/20 0.58
PKM P14618 3/20 0.58
ABCB11 O95342 1/20 0.58
TP53 P04637 1/20 0.58
LMNA P02545 4/20 0.57
CDK1 P06493 2/20 0.56
CDK2 P24941 2/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
MAPT P10636 3/20 0.54

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
SCHEMBL29858384 1.00 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL22955871 0.84 HPGD (0.72) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL28116783 0.84 NPC1 (0.72) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL18155092 0.81 NPC1 (0.66) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL784353 0.79 NPC1 (0.66) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL29825055 0.79 NPC1 (0.66) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL31677102 0.79 NPC1 (0.66) NPC1RAB9AALDH1A1KDM4EHPGD
Benzene SCHEMBL29179821 0.78 RAB9A (0.64) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL227743 0.78 NPC1 (0.78) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL18229642 0.77 HDAC6 (1.00) NPC1RAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121318-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-05-04 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 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 (1 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-20170121318-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY KLF10, KLF5, ICOS NPC1 2842/4885RAB9A 1510/4885ALDH1A1 3845/4885

“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.