SCHEMBL397893

SCHEMBL397893

Nc1ccccc1-c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 1/20 0.58
TAAR1 Q96RJ0 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
ESR2 Q92731 1/20 0.44
ADORA2A P29274 2/20 0.44
MAOB P27338 1/20 0.42
GRM5 P41594 1/20 0.42
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PDK2 Q15119 1/20 0.41
DHFR P00374 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
Hydrochloric Acid SCHEMBL9312308 0.98 ALDH1A1 (0.56) ALDH1A1HSD17B10TAAR1L3MBTL1KDM4E
SCHEMBL29414654 0.86 TAAR1 (0.52) ALDH1A1HSD17B10TAAR1KDM4EMAPT
SCHEMBL15365196 0.86 TAAR1 (0.52) ALDH1A1HSD17B10TAAR1KDM4EMAPT
SCHEMBL25009764 0.84 ALDH1A1 (0.44) ALDH1A1HSD17B10TAAR1L3MBTL1KDM4E
SCHEMBL5162068 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10L3MBTL1KDM4EALOX5AP
SCHEMBL30325664 0.83 TAAR1 (0.59) ALDH1A1TAAR1KDM4EMAPTMEN1
SCHEMBL400327 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10TAAR1L3MBTL1KDM4E
SCHEMBL31168142 0.80 HTT (0.49) TAAR1KDM4EMAPTESR2ADORA2A
SCHEMBL19503242 0.80 HTT (0.49) TAAR1KDM4EMAPTESR2ADORA2A
SCHEMBL457387 0.80 TAAR1 (0.60) ALDH1A1TAAR1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BASF SE (DE) 2009-01-08 US claimed
EP-1996018-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2008-12-03 EP claimed
WO-2007104658-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2007-09-20 WO claimed
CN-114846000-A 2-amino-N- (amino-oxo-aryl- λ 6-thioalkyl) acetamide compounds and therapeutic uses thereof 牛津药物设计有限公司 2022-08-02 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10730839-B2 Quinolines as cytoprotective agents NEURODON CORPORATION 2020-08-04 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190330156-A1 QUINOLINES AS CYTOPROTECTIVE AGENTS NEURODON CORPORATION 2019-10-31 US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
US-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK SHARP & DOHME LLC 2004-09-23 US disclosed
EP-1434773-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-07-07 EP disclosed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed
WO-2003029210-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO. INC. (US) 2003-04-10 WO disclosed
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 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 (6 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885TAAR1 3507/4885
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BROX, CAT, SLC11A2 ALDH1A1 2207/4885HSD17B10 2379/4885TAAR1 2454/4885
US-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 GRM5, GRM1, GRIK5 ALDH1A1 3515/4885HSD17B10 2353/4885TAAR1 111/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885TAAR1 3507/4885
US-10730839-B2 Quinolines as cytoprotective agents IAPP, NFE2L2, NLN ALDH1A1 687/4885HSD17B10 2449/4885TAAR1 2901/4885
US-20190330156-A1 QUINOLINES AS CYTOPROTECTIVE AGENTS IAPP, NFE2L2, NLN ALDH1A1 687/4885HSD17B10 2449/4885TAAR1 2901/4885

“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.