SCHEMBL2405752

SCHEMBL2405752

Cc1nc(-c2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.60
TSHR P16473 1/20 0.60
SCN9A Q15858 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
AR P10275 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GRM5 P41594 1/20 0.55
PRMT6 Q96LA8 1/20 0.54
ADAM17 P78536 1/20 0.52
HTT P42858 1/20 0.51
CFTR P13569 1/20 0.51
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
CASP8 Q14790 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL8232458 0.89 KDM4E (0.53) RECQLTSHRSCN9AKDM4EALDH1A1
SCHEMBL13216767 0.86 RECQL (0.62) RECQLTSHRSCN9AKDM4EALDH1A1
SCHEMBL19626577 0.85 ALDH1A1 (0.53) KDM4EALDH1A1ARMEN1KMT2A
SCHEMBL13997536 0.83 MAPT (0.60) RECQLTSHRSCN9AKDM4EALDH1A1
SCHEMBL1198896 0.83 ALDH1A1 (0.56) KDM4EALDH1A1ARMEN1KMT2A
SCHEMBL474410 0.83 LTA4H (0.67) KDM4EALDH1A1ARMEN1KMT2A
SCHEMBL28743338 0.83 ALDH1A1 (0.71) KDM4EALDH1A1ARMEN1KMT2A
Bromide SCHEMBL8357468 0.81 LTA4H (0.65) KDM4EALDH1A1ARMEN1KMT2A
SCHEMBL2490867 0.81 MEN1 (0.59) KDM4EALDH1A1ARMEN1KMT2A
SCHEMBL9687795 0.81 CFTR (0.60) KDM4EALDH1A1ARMEN1KMT2A

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
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
WO-1998017631-A2 SUBSTITUTED OXIME-ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-04-30 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 (10 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR RECQL 3603/4885TSHR 40/4885SCN9A 2469/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA RECQL 1853/4885TSHR 4395/4885SCN9A 2177/4885
US-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 RECQL 1313/4885TSHR 819/4885SCN9A 285/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 RECQL 1370/4885TSHR 1830/4885SCN9A 3067/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 RECQL 1426/4885TSHR 3122/4885SCN9A 739/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA RECQL 1527/4885TSHR 4091/4885SCN9A 1524/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR RECQL 1455/4885TSHR 2963/4885SCN9A 659/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR RECQL 1518/4885TSHR 3004/4885SCN9A 673/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 RECQL 2049/4885TSHR 289/4885SCN9A 2388/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA RECQL 519/4885TSHR 3558/4885SCN9A 3282/4885

“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.