SCHEMBL1369725

SCHEMBL1369725

c1ccc2c(c1)ccn1ncnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
MAPK1 P28482 2/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.36
PARP1 P09874 1/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 2/20 0.36
HCRTR1 O43613 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2A6 P11509 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRKDC P78527 2/20 0.36

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
SCHEMBL10321598 0.74 PI4KA (0.40) NPC1MAPK1ALDH1A1RAB9AKDM4E
SCHEMBL9807913 0.73 IDO1 (0.38) NPC1MAPK1IDO1ALDH1A1RAB9A
SCHEMBL9807880 0.73 RAB9A (0.41) NPC1MAPK1IDO1ALDH1A1RAB9A
SCHEMBL1367994 0.72 BMP4 (0.45) NPC1MAPK1ALDH1A1RAB9AKDM4E
SCHEMBL12145471 0.69 EGFR (0.41) MAPK1IDO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29648618 0.69 KDM4E (0.49) NPC1MAPK1ALDH1A1RAB9AKDM4E
SCHEMBL1372910 0.69 ALDH1A1 (0.44) NPC1MAPK1IDO1ALDH1A1RAB9A
SCHEMBL3594952 0.69 KDM4E (0.49) NPC1MAPK1ALDH1A1RAB9AKDM4E
SCHEMBL23466996 0.68 IDO1 (0.47) NPC1MAPK1IDO1ALDH1A1KDM4E
SCHEMBL29768319 0.68 IDO1 (0.47) NPC1MAPK1IDO1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP claimed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP claimed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO claimed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 WO disclosed
US-4313950-A Antireproductive tricyclic ortho-fused nitrogen containing compounds GRUPPO LEPETIT S.P.A. (IT) 1982-02-02 US disclosed
US-4275066-A 1,2,4-TRIAZOLO(5.1A)ISOINDOZE, TRIAZOLO(5.1A) ISOQUINOLINE OR 1,2,4,-TRIAZOLO (5.1A)(2) BENZAZEPINE CONTRACEPTIVES GRUPPO LEPETIT S.P.A. (IT) 1981-06-23 US disclosed
US-RE30456-E ANTIFERTILITY AGENTS, ANTIINFLAMATORY AGENTS AND CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-12-23 US disclosed
US-RE30456-E ANTIFERTILITY AGENTS, ANTIINFLAMATORY AGENTS AND CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-12-23 US disclosed
US-4075341-A 2-Substituted phenyl-5-triazols [5,1-a] isoquinoline compounds GRUPPO LEPETIT S.P.A. (IT) 1978-02-21 US disclosed
US-4075341-A 2-Substituted phenyl-5-triazols [5,1-a] isoquinoline compounds GRUPPO LEPETIT S.P.A. (IT) 1978-02-21 US 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-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 NPC1 3516/4885MAPK1 4229/4885IDO1 2782/4885

“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.