SCHEMBL6557724

SCHEMBL6557724

Nc1ccc(F)cc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TDO2 P48775 1/20 0.44
KEAP1 Q14145 1/20 0.42
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
MAP4K4 O95819 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RELA Q04206 5/20 0.40
NOS3 P29474 1/20 0.40
CCNE2 O96020 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3789841 0.91 TAAR1 (0.50) ALDH1A1TDO2KEAP1MEN1KMT2A
SCHEMBL3950704 0.87 ALDH1A1 (0.45) ALDH1A1TDO2MAP4K4MEN1KMT2A
SCHEMBL15269267 0.87 ACHE (0.46) ALDH1A1PTGS2PTGS1MEN1KMT2A
SCHEMBL21087940 0.87 ALDH1A1 (0.45) ALDH1A1TDO2KEAP1MEN1KMT2A
SCHEMBL3793169 0.86 ALDH1A1 (0.54) ALDH1A1KEAP1TAAR1CYP1A2CYP2C9
SCHEMBL29492484 0.86 ALDH1A1 (0.54) ALDH1A1KEAP1TAAR1CYP1A2CYP2C9
SCHEMBL1578302 0.86 ALDH1A1 (0.43) ALDH1A1TDO2PTGS2PTGS1MEN1
SCHEMBL29901139 0.85 ALDH1A1 (0.62) ALDH1A1KEAP1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL9311952 0.85 ALDH1A1 (0.52) ALDH1A1KEAP1TAAR1CYP1A2CYP2C9
Ammonia Solution, Strong SCHEMBL11901716 0.85 ALDH1A1 (0.52) ALDH1A1KEAP1TAAR1CYP1A2CYP2C9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2683682-A1 PROCESS FOR THE SYNTHESIS OF AMINOBIPHENYLENE BASF SE (DE) 2014-01-15 EP disclosed
EP-2546229-A1 Method for synthesising aminobiphenyls Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2013-01-16 EP disclosed
EP-2546229-A1 Method for synthesising aminobiphenyls Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2013-01-16 EP 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
EP-1003725-B1 FLUOROPYRAZOLE-BIPHENYLAMIDE FUNGICIDES BASF AG (DE) 2004-12-29 EP disclosed
EP-0847388-B1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF AG (DE) 2003-06-25 EP disclosed
EP-1003725-A1 FLUOROPYRAZOLE-BIPHENYLAMIDE FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
US-5998450-A FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-12-07 US disclosed
WO-1999009013-A1 FLUOROPYRAZOLE-BIPHENYLAMIDE FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-25 WO disclosed
EP-0847388-A1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-06-17 EP disclosed
WO-1997008148-A1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 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 (1 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-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 CHRM2, CHRM3, CHRM5 ALDH1A1 866/4885TDO2 987/4885KEAP1 2431/4885

“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.