SCHEMBL3533598

SCHEMBL3533598

O=C(O)c1csc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
MAPK1 P28482 2/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 1/20 0.61
NR1H4 Q96RI1 1/20 0.61
TLR7 Q9NYK1 1/20 0.61
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
IDE P14735 1/20 0.52
MAPK10 P53779 1/20 0.52
PTGER1 P34995 1/20 0.52
HPGDS O60760 1/20 0.51
HTT P42858 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
PTPN1 P18031 1/20 0.48
PLA2G10 O15496 1/20 0.48

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
SCHEMBL15896523 0.86 MAPK1 (0.60) ALDH1A1MAPK1LMNAMAPTNR1H4
SCHEMBL3063332 0.86 LMNA (0.64) ALDH1A1MAPK1LMNAMAPTNR1H4
SCHEMBL20988414 0.86 MAPK1 (0.60) ALDH1A1MAPK1LMNAMAPTNR1H4
SCHEMBL3537771 0.84 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EHPGDSPTPN1
SCHEMBL2879349 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1LMNAMAPTNR1H4
SCHEMBL15893970 0.82 MAPK1 (0.56) ALDH1A1MAPK1LMNAMAPTNR1H4
SCHEMBL2638150 0.82 ALDH1A1 (0.73) ALDH1A1MAPK1NR1H4TLR7KDM4E
SCHEMBL2546011 0.82 ALDH1A1 (0.73) ALDH1A1MAPK1LMNAMAPTNR1H4
SCHEMBL15754791 0.82 ALDH1A1 (0.71) ALDH1A1LMNATLR7KDM4EHPGDS
SCHEMBL657641 0.82 ALDH1A1 (0.70) ALDH1A1MAPK1LMNAMAPTTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-16 US disclosed
US-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-16 US disclosed
CN-101370796-B Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE 2012-10-10 CN disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 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 (4 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-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN5A, SCN1A ALDH1A1 2669/4885MAPK1 4003/4885LMNA 1930/4885
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ALDH1A1 2895/4885MAPK1 2598/4885LMNA 1268/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ALDH1A1 2882/4885MAPK1 2584/4885LMNA 1264/4885
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 ALDH1A1 707/4885MAPK1 1118/4885LMNA 1948/4885

“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.