SCHEMBL396362

SCHEMBL396362

Nc1ccccc1-c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HSD17B10 Q99714 3/20 0.65
ATAD2 Q6PL18 1/20 0.61
ACE2 Q9BYF1 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
IMPDH2 P12268 2/20 0.50
NOTUM Q6P988 1/20 0.50
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
MAPK10 P53779 2/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
LMNA P02545 2/20 0.46
JAK2 O60674 1/20 0.44
IDO1 P14902 1/20 0.44
MAPK1 P28482 2/20 0.42
GFER P55789 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
SCHEMBL29450623 1.00 ALDH1A1 (0.65) ALDH1A1HSD17B10ATAD2ACE2L3MBTL1
Hydrochloric Acid SCHEMBL3381632 0.98 ALDH1A1 (0.62) ALDH1A1HSD17B10ATAD2ACE2L3MBTL1
Pyridine SCHEMBL27788673 0.86 ALDH1A1 (0.74) ALDH1A1HSD17B10ATAD2ACE2L3MBTL1
SCHEMBL15364728 0.82 IMPDH2 (0.51) ALDH1A1HSD17B10ATAD2ACE2L3MBTL1
SCHEMBL30708901 0.82 NOTUM (0.63) ALDH1A1HSD17B10ATAD2IMPDH2NOTUM
SCHEMBL4032281 0.82 NOTUM (0.63) ALDH1A1HSD17B10ATAD2IMPDH2NOTUM
SCHEMBL6480845 0.82 ALDH1A1 (0.83) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1
SCHEMBL8115984 0.80 IMPDH2 (0.59) ALDH1A1HSD17B10ATAD2ACE2IMPDH2
Hydrochloric Acid SCHEMBL29427302 0.80 ALDH1A1 (0.90) ALDH1A1HSD17B10ATAD2L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL15571781 0.80 ALDH1A1 (0.90) ALDH1A1HSD17B10ATAD2L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417734-B A kind of platinum complex and its preparation method and application with two-Photon Absorption Properties 中山大学 2019-08-20 CN claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
EP-3689867-B1 COMPOSITION, ORGANIC SEMICONDUCTOR LAYER AND ELECTRONIC DEVICE NOVALED GMBH (DE) 2021-12-15 EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
WO-2020157204-A1 COMPOSITION, ORGANIC SEMICONDUCTOR LAYER AND ELECTRONIC DEVICE NOVALED GMBH (DE) 2020-08-06 WO disclosed
EP-3689867-A1 COMPOSITION, ORGANIC SEMICONDUCTOR LAYER AND ELECTRONIC DEVICE Novaled GmbH (DE) 2020-08-05 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3643720-A1 ORGANIC COMPOUNDS, ORGANIC SEMICONDUCTOR LAYER AND ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2020-04-29 EP disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
WO-2020016233-A1 COMPOUND AND ORGANIC SEMICONDUCTING LAYER, ORGANIC ELECTRONIC DEVICE, DISPLAY DEVICE AND LIGHTING DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2020-01-23 WO disclosed
CN-107417734-B A kind of platinum complex and its preparation method and application with two-Photon Absorption Properties 中山大学 2019-08-20 CN disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
EP-1296938-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE Pfizer Limited (GB) 2003-04-02 EP disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER, INC. 2002-05-02 US disclosed
WO-2002002513-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE PFIZER LIMITED (GB) 2002-01-10 WO disclosed
CN-1309638-A N-substituted naphthamides as neurokinin receptor antagonists ASTRAZENECA AB (SE) 2001-08-22 CN 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-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885ATAD2 234/4885
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase ENGASE, ENPEP, CPN1 ALDH1A1 1319/4885HSD17B10 839/4885ATAD2 3955/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R ALDH1A1 423/4885HSD17B10 2357/4885ATAD2 2307/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885HSD17B10 1602/4885ATAD2 768/4885

“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.