SCHEMBL437532

SCHEMBL437532

Clc1ccc(-c2c(Cl)[c]ccc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.38
CYP1A2 P05177 3/20 0.37
LMNA P02545 2/20 0.36
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 2/20 0.32
IKBKB O14920 1/20 0.32
MAP3K14 Q99558 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
ALOX5 P09917 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
DHFR P00374 1/20 0.30
TP53 P04637 1/20 0.30
HEXA P06865 1/20 0.30

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
SCHEMBL2874737 0.84 CYP1A2 (0.41) CYP1A2LMNACYP2A6ALDH1A1MAPK1
SCHEMBL1568008 0.83 MAPK1 (0.34) CYP1A2CYP2A6ALDH1A1IKBKBMAPK1
SCHEMBL10832478 0.83
SCHEMBL9728993 0.83 TYMP (0.38) HSD17B10KDM4EPTGS2NPC1RAB9A
SCHEMBL9731437 0.83 PTGS2 (0.37) ALDH1A1HSD17B10KDM4EMAPTPTGS2
SCHEMBL434652 0.81 AHR (0.34) AHRCYP1A2LMNACYP2A6ALDH1A1
SCHEMBL7281497 0.78 AHR (0.52) AHRALDH1A1IKBKBMAP3K14HSD17B10
SCHEMBL436848 0.78 NPC1 (0.39) AHRCYP1A2LMNACYP2A6ALDH1A1
SCHEMBL1645683 0.78 CA12 (0.41) AHRMAPK1PTGS2NPC1RAB9A
SCHEMBL7803250 0.78 KIF11 (0.41) AHRHEXAHEXB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552067-B2 poly(imino-keto-methylene/amine) derivatives as a bioactive part in conjugates; diarrhea caused by pathogens: Vibrio cholerae, Clostridium difficile, Escherichia coli, Shigella, Salmonella, rotavirus; or enterotoxins: cholera toxin, E. coli toxin, Salmonella toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-08 US claimed
EP-2288592-A2 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR The Regents of the University of California (US) 2011-03-02 EP claimed
WO-2009146144-A2 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-12-03 WO claimed
EP-2117601-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2009-11-18 EP claimed
US-20090253799-A1 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-08 US claimed
US-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-17 US claimed
WO-2008079897-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-03 WO claimed
US-8552067-B2 poly(imino-keto-methylene/amine) derivatives as a bioactive part in conjugates; diarrhea caused by pathogens: Vibrio cholerae, Clostridium difficile, Escherichia coli, Shigella, Salmonella, rotavirus; or enterotoxins: cholera toxin, E. coli toxin, Salmonella toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-08 US disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
EP-2117601-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2009-11-18 EP disclosed
US-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-17 US disclosed
WO-2008079897-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-03 WO disclosed
US-5156669-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
US-5004494-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-02 US disclosed
US-4977184-A Bicyclic peroxides compositions for and treatment of malaria therewith HOFFMANN-LA ROCHE INC. (US) 1990-12-11 US disclosed
US-4620867-A 1-carbalkoxyalkyl-3-aryloxy-4-(substituted-2'-carboxyphenyl)-azet-2-ones as plant growth regulators and herbicides CHEVRON RESEARCH COMPANY (US) 1986-11-04 US disclosed
US-4218513-A Polymer composite articles containing amino substituted mercapto organo silicon coupling agents UNION CARBIDE CORPORATION (US) 1980-08-19 US disclosed
US-4156677-A Polymer composite articles containing amino substituted mercapto organo silicon coupling agents UNION CARBIDE CORPORATION (US) 1979-05-29 US disclosed
US-4140830-A ANCHORING AGENTS UNION CARBIDE CORPORATION (US) 1979-02-20 US 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 (2 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-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR CFTR, SLC47A1, SLC47A2 AHR 4383/4885CYP1A2 4842/4885LMNA 4275/4885
US-20090253799-A1 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, SLC26A3 AHR 3003/4885CYP1A2 4859/4885LMNA 4783/4885

“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.