SCHEMBL3793169

SCHEMBL3793169

Nc1ccc(F)cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 1/20 0.54
KEAP1 Q14145 1/20 0.44
ADORA1 P30542 3/20 0.42
ADORA2A P29274 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP1A2 P05177 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTK2B Q14289 1/20 0.40
METAP2 P50579 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
BACE1 P56817 1/20 0.39
MAPT P10636 2/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL29492484 1.00 ALDH1A1 (0.54) ALDH1A1HSD17B10KEAP1ADORA1ADORA2A
Hydrochloric Acid SCHEMBL9311952 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10KEAP1ADORA1ADORA2A
Ammonia Solution, Strong SCHEMBL11901716 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10KEAP1ADORA1ADORA2A
SCHEMBL6557724 0.86 ALDH1A1 (0.52) ALDH1A1KEAP1TAAR1CYP1A2CYP2C9
SCHEMBL3789841 0.83 TAAR1 (0.50) ALDH1A1HSD17B10KEAP1TAAR1MAPT
SCHEMBL3785218 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10KEAP1ADORA1ADORA2A
SCHEMBL3783916 0.82 MAOA (0.47) ALDH1A1TAAR1MKNK1MKNK2MAPT
SCHEMBL29901139 0.81 ALDH1A1 (0.62) ALDH1A1KEAP1CYP1A2BACE1HDAC1
SCHEMBL21088010 0.80 ALDH1A1 (0.50) ALDH1A1KEAP1TAAR1CYP1A2BACE1
SCHEMBL3787023 0.80 ALDH1A1 (0.59) ALDH1A1HSD17B10KEAP1ADORA2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688739-A1 NOVEL PYRROLIDINIUM COMPOUNDS HAVING ANTAGONISTIC ACTIVITY AGAINST MUSCARINIC RECEPTORS AND USE THEREOF eFlask Co., Ltd. (KR) 2026-02-11 EP disclosed
WO-2024205157-A1 NOVEL PYRROLIDINIUM COMPOUNDS HAVING ANTAGONISTIC ACTIVITY AGAINST MUSCARINIC RECEPTORS AND USE THEREOF EFLASK CO., LTD. (KR) 2024-10-03 WO disclosed
CN-112898352-B Asymmetric palladium complex, preparation method and application thereof in catalyzing olefin polymerization 中山大学 2022-03-22 CN disclosed
CN-112898352-A Asymmetric palladium complex, preparation method and application thereof in catalyzing olefin polymerization 中山大学 2021-06-04 CN disclosed
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US disclosed
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US disclosed
WO-2019110521-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-06-13 WO disclosed
US-10246407-B2 Process for preparing biphenylamines from anilides by ruthenium catalysis BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
US-10246408-B2 Process for preparing biphenylamines from anilides by ruthenium catalysis BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
US-20170044094-A1 PROCESS FOR PREPARING BIPHENYLAMINES FROM ANILIDES BY RUTHENIUM CATALYSIS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 US disclosed
WO-2012120003-A1 PROCESS FOR THE SYNTHESIS OF AMINOBIPHENYLENE Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2012-09-13 WO disclosed
WO-2012120003-A1 PROCESS FOR THE SYNTHESIS OF AMINOBIPHENYLENE Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2012-09-13 WO disclosed
CN-101133016-B Method for producing substituted biphenyls BASF AG 2010-06-02 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
CN-101133016-A Method for producing substituted biphenyls BASF AG (DE) 2008-02-27 CN 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
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP 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 (5 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-10246407-B2 Process for preparing biphenylamines from anilides by ruthenium catalysis SBDS, AGPS, CYP2B6 ALDH1A1 392/4885HSD17B10 1351/4885KEAP1 1235/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885HSD17B10 1100/4885KEAP1 1245/4885
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 CHRM2, CHRM3, CHRM5 ALDH1A1 866/4885HSD17B10 3669/4885KEAP1 2431/4885
US-10246408-B2 Process for preparing biphenylamines from anilides by ruthenium catalysis SBDS, AGPS, CYP2B6 ALDH1A1 392/4885HSD17B10 1351/4885KEAP1 1235/4885
US-20170044094-A1 PROCESS FOR PREPARING BIPHENYLAMINES FROM ANILIDES BY RUTHENIUM CATALYSIS SBDS, AGPS, CYP2B6 ALDH1A1 392/4885HSD17B10 1351/4885KEAP1 1235/4885

“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.