SCHEMBL43365

SCHEMBL43365

O=C(O)c1cc(C(F)(F)F)cc(Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.46
SORT1 Q99523 1/20 0.45
DDR1 Q08345 1/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
GPR35 Q9HC97 1/20 0.41
RXRG P48443 1/20 0.40
CES2 O00748 1/20 0.39
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.39
NOTUM Q6P988 2/20 0.38
GRIK1 P39086 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
Hydrochloric Acid SCHEMBL42961 0.98 MRGPRX4 (0.45) MRGPRX4SORT1DDR1HPGDKDM4E
SCHEMBL42960 0.87 DDR1 (0.44) MRGPRX4SORT1DDR1HPGDALDH1A1
SCHEMBL9465476 0.84 CASP1 (0.43) MRGPRX4DDR1ALDH1A1GPR35CES2
SCHEMBL18243875 0.84 DDR1 (0.45) MRGPRX4DDR1ALDH1A1GPR35CES2
SCHEMBL1579735 0.83 NPC1 (0.42) MRGPRX4SORT1DDR1ALDH1A1GPR35
SCHEMBL2515684 0.83 GPR35 (0.46) MRGPRX4SORT1HPGDKDM4EALDH1A1
SCHEMBL9465832 0.81 ALDH1A1 (0.46) HPGDKDM4EALDH1A1HSD17B10RXRA
SCHEMBL30451908 0.81 ALDH1A1 (0.46) HPGDKDM4EALDH1A1HSD17B10RXRA
SCHEMBL23528905 0.81 DDR1 (0.41) MRGPRX4SORT1DDR1HPGDKDM4E
SCHEMBL24973075 0.80 MRGPRX4 (0.45) MRGPRX4SORT1HPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642802-B2 Process for the preparation of halogenated benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US claimed
EP-2310349-B1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-04-24 EP claimed
US-20120330055-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES BACHMANN STEPHAN (CH) 2012-12-27 US claimed
US-8329939-B2 Process for the preparation of halogenated benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US claimed
US-20120130121-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES BACHMANN STEPHAN (CH) 2012-05-24 US claimed
CN-102056883-A Process for the preparation of halogenated benzoic acid derivatives HOFFMANN LA ROCHE 2011-05-11 CN claimed
EP-2310349-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-04-20 EP claimed
US-20090306423-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-10 US claimed
WO-2009147068-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-10 WO claimed
JP-2178255-A None JP disclosed
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 EP disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
CN-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 US disclosed
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO disclosed
US-5196593-A HALOGENATED TRIFLUOROMETHYLBENZENES OCCIDENTAL CHEMICAL CORPORATION (US) 1993-03-23 US disclosed
JP-H02178255-A NOVEL HALOGENATED TRIFLUOROMETHYLBENZENE OCCIDENTAL CHEM CORP 1990-07-11 JP 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 (7 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-20090306423-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES CYP2F1, CYP3A5, GABRA5 MRGPRX4 3785/4885SORT1 3133/4885DDR1 4881/4885
US-20120330055-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES CYP2F1, GABRA5, CYP3A5 MRGPRX4 3786/4885SORT1 3317/4885DDR1 4882/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 MRGPRX4 134/4885SORT1 3114/4885DDR1 3841/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 MRGPRX4 746/4885SORT1 3548/4885DDR1 3734/4885
US-20120130121-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES CYP2F1, GABRA5, CYP3A5 MRGPRX4 3786/4885SORT1 3317/4885DDR1 4882/4885
US-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 MRGPRX4 126/4885SORT1 4635/4885DDR1 1764/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 MRGPRX4 134/4885SORT1 3114/4885DDR1 3841/4885

“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.