SCHEMBL398850

SCHEMBL398850

Nc1ccccc1-c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 1/20 0.58
TDO2 P48775 1/20 0.51
ADORA2A P29274 3/20 0.50
ADORA1 P30542 3/20 0.50
DHFR P00374 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
PGR P06401 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL29575632 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10TDO2ADORA2AADORA1
SCHEMBL21933948 0.92 ALDH1A1 (0.50) ALDH1A1HSD17B10TDO2ADORA2AADORA1
SCHEMBL9862849 0.84 NPC1 (0.50) ALDH1A1TDO2ADORA2AADORA1DHFR
SCHEMBL5162068 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10ADORA2ADHFRNPC1
SCHEMBL399109 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10ADORA2AADORA1DHFR
SCHEMBL28623583 0.82 TDO2 (0.47) ALDH1A1TDO2ADORA2AADORA1DHFR
SCHEMBL17010271 0.81 DHFR (0.49) ALDH1A1TDO2ADORA2AADORA1DHFR
SCHEMBL5050877 0.80 CYP2A6 (0.52) TDO2ADORA2AADORA1DHFRNPC1
SCHEMBL6571989 0.80 ALDH1A1 (0.54) ALDH1A1HSD17B10TDO2ADORA2AADORA1
SCHEMBL6011269 0.80 ALDH1A1 (0.54) ALDH1A1TDO2ADORA2AADORA1DHFR

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 82 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-114573546-B Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2024-02-23 CN disclosed
US-20230010535-A1 ELECTROACTIVE COMPOUNDS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-01-12 US disclosed
US-20230010535-A1 ELECTROACTIVE COMPOUNDS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-01-12 US disclosed
CN-114573546-A Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2022-06-03 CN disclosed
WO-2021126593-A1 ELECTROACTIVE COMPOUNDS DUPONT ELECTRONICS, INC. (US) 2021-06-24 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP 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
EP-1856024-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2007104658-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2007-09-20 WO disclosed
WO-2007003603-A2 FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO disclosed
WO-2006092429-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCAHFT (DE) 2006-09-08 WO 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
WO-2000075135-A1 BIARYL INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-12-14 WO disclosed
EP-1023277-A1 NOVEL 3,4-DIARYLTHIAZOLIN-2-ONE OR -2-THIONE DERIVATIVES, PREPARATION METHODS AND USES IN THERAPY LABORATOIRES UPSA (FR) 2000-08-02 EP disclosed
WO-1999018093-A1 NOVEL 3,4-DIARYLTHIAZOLIN-2-ONE OR -2-THIONE DERIVATIVES, PREPARATION METHODS AND USES IN THERAPY LABORATOIRES UPSA (FR) 1999-04-15 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 (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-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BROX, CAT, SLC11A2 ALDH1A1 2207/4885HSD17B10 2379/4885TDO2 493/4885
US-20230010535-A1 ELECTROACTIVE COMPOUNDS NR4A2, NR2C2, ESR2 ALDH1A1 3088/4885HSD17B10 1152/4885TDO2 3202/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885TDO2 4560/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885HSD17B10 1602/4885TDO2 4575/4885

“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.