SCHEMBL1367962

SCHEMBL1367962

c1ccc2c(c1)ccn1nncc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
CYP2A6 P11509 1/20 0.36
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
HPRT1 P00492 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KDM4E B2RXH2 3/20 0.33
PARP1 P09874 1/20 0.32
PRKCI P41743 1/20 0.32
PDE4B Q07343 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CDK2 P24941 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL31207171 0.75 HTR2C (0.36) CYP2A6HTR2AHTR2CCDK2MAPT
SCHEMBL31207162 0.75 NOS1 (0.36) CYP2A6HTR2AHTR2CCDK2KMT2A
SCHEMBL1608142 0.73 MAPT (0.45) HTR2AHTR2CKDM4EHSP90AA1KMT2A
SCHEMBL28960906 0.73 ALKBH5 (0.47) IDO1ALDH1A1HSD17B10KDM4EHSP90AA1
SCHEMBL23466996 0.72 IDO1 (0.47) IDO1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL29768319 0.72 IDO1 (0.47) IDO1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL31207117 0.72 MAPT (0.44) ALDH1A1HSD17B10CYP2A6NPC1HTR2A
SCHEMBL30373625 0.70 CYP1A2 (0.43) IDO1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL31207123 0.69 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRMAPK1KDM4E
SCHEMBL3594951 0.68 KDM4E (0.51) ALDH1A1TDP1HSD17B10MAPK1NPC1

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 17 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
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
EP-2701512-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-05 EP disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
WO-2012148808-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-01 WO disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP disclosed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO 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-4202695-A SHARPNESS OF FINE DETAIL, NON-YELLOWING AGFA-GEVAERT N.V. (BE) 1980-05-13 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 (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-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B IDO1 494/4885ALDH1A1 802/4885TDP1 1718/4885
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B IDO1 494/4885ALDH1A1 802/4885TDP1 1718/4885
US-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 IDO1 2782/4885ALDH1A1 3721/4885TDP1 3464/4885
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 IDO1 2601/4885ALDH1A1 290/4885TDP1 2800/4885

“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.