SCHEMBL436626

SCHEMBL436626

Clc1ccc(-c2[c]ccc(Br)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.34
NOTUM Q6P988 2/20 0.34
LMNA P02545 3/20 0.33
KMT2A Q03164 3/20 0.33
MCL1 Q07820 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX5 P09917 1/20 0.32
CYP2A6 P11509 1/20 0.32
MEN1 O00255 2/20 0.32
DHODH Q02127 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31

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
SCHEMBL16970612 0.85 ALDH1A1 (0.37) AHRKMT2ASMN1; SMN2MAPTCYP1A2
SCHEMBL436851 0.81 AHR (0.38) AHRNOTUMLMNASMN1; SMN2MAPT
SCHEMBL4466473 0.80 MAPK1 (0.33) AHRKMT2AMCL1NPSR1MAPT
SCHEMBL11074877 0.80 ALDH1A1 (0.48) KMT2AMCL1SMN1; SMN2CYP1A2NPC1
SCHEMBL8210753 0.79 ALDH1A1 (0.41) LMNAKMT2ASMN1; SMN2MAPTHPGD
SCHEMBL15066583 0.78 CYP2A6 (0.32) AHRCYP2A6
SCHEMBL436469 0.76 NOTUM (0.38) AHRNOTUMLMNASMN1; SMN2CYP1A2
SCHEMBL2154312 0.76 AHR (0.34) AHRNOTUMKMT2ASMN1; SMN2MAPT
SCHEMBL11357189 0.76 GABRP (0.42) LMNAKMT2AMCL1SMN1; SMN2NPSR1
SCHEMBL8447343 0.74 KMT2A (0.43) LMNAKMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023388-A Hexahydrofuran [2,3-B ] benzofuran compound, preparation thereof and application thereof in synthesis of aflatoxin B intermediate 浙江工业大学 2023-04-28 CN claimed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 EP claimed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO claimed
EP-1041980-A4 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2002-03-20 EP claimed
EP-1041980-A1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-11 EP claimed
WO-1999033460-A1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-08 WO claimed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 EP disclosed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO disclosed
WO-2016142486-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANTI-ANGIOGENIC RESISTANT CANCER INSTITUT D'INVESTIGACIÓ BIOMÈDICA DE BELLVITGE (IDIBELL) (ES) 2016-09-15 WO disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
US-20130035512-A1 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2013-02-07 US disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2008131501-A2 NEW ANTI-VIRAL NUCLEOSIDE ANALOGS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-06 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-20130035512-A1 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS WDR48, DDX41, DDX42 AHR 118/4885NOTUM 2664/4885LMNA 1527/4885

“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.