SCHEMBL6168743

SCHEMBL6168743

Clc1cc(-c2nc3ccccc3s2)nc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.50
KDM4E B2RXH2 10/20 0.50
NPC1 O15118 9/20 0.50
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 7/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PAX8 Q06710 1/20 0.45
NOD2 Q9HC29 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL13385412 0.77 RAB9A (0.43) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12861180 0.76 RAB9A (0.59) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL827403 0.74 RAB9A (0.67) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL16404990 0.73 KDM4E (0.56) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL2139236 0.73 KDM4E (0.64) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL29829782 0.73 KDM4E (0.64) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
Methane SCHEMBL28056221 0.72 RAB9A (0.64) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28205214 0.72 RAB9A (0.64) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.72 RAB9A (0.64) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL24557199 0.71 KDM4E (0.59) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1273582-B1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2005-06-29 EP disclosed
EP-1273580-B1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-6900230-B2 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-05-31 US disclosed
US-6875779-B2 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-04-05 US disclosed
EP-1233959-B1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PROD INC (US) 2005-03-16 EP disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2004-10-07 US disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
US-6753332-B2 CYCLOOXYGENASE INHIBITORS PFIZER, INC. 2004-06-22 US disclosed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US disclosed
US-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-07-03 US disclosed
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER PRODUCTS, INC. 2003-06-26 US disclosed
US-20030119836-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-06-26 US disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 US disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US disclosed
EP-1273580-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1273576-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1273582-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 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 (6 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-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SULT2A1, AHR, SULT1A1 RAB9A 2205/4885KDM4E 1561/4885NPC1 2422/4885
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PTGS1, SULT2A1, PTGES3 RAB9A 2058/4885KDM4E 1937/4885NPC1 4013/4885
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 RAB9A 1807/4885KDM4E 2994/4885NPC1 2815/4885
US-20030119836-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PTGS1, SULT2A1, AHR RAB9A 1661/4885KDM4E 1848/4885NPC1 3786/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT RAB9A 2477/4885KDM4E 969/4885NPC1 3789/4885
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 RAB9A 1807/4885KDM4E 2994/4885NPC1 2815/4885

“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.