SCHEMBL602492

SCHEMBL602492

Nc1nnc(Cc2ccc(F)cc2)s1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.69
HPGD P15428 3/20 0.66
LMNA P02545 3/20 0.63
POLB P06746 3/20 0.58
HTT P42858 2/20 0.58
MAPK1 P28482 1/20 0.51
GLS O94925 2/20 0.49
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL17967711 0.84 ATM (0.69) ALDH1A1HPGDLMNAPOLBHTT
Hydrochloric Acid SCHEMBL21391938 0.82 ATM (0.67) ALDH1A1HPGDLMNAPOLBHTT
SCHEMBL4220065 0.81 ALDH1A1 (0.69) ALDH1A1HPGDLMNAPOLBHTT
SCHEMBL3027076 0.81 ALDH1A1 (1.00) ALDH1A1HPGDLMNAPOLBHTT
SCHEMBL601912 0.81 ALDH1A1 (0.58) ALDH1A1HPGDLMNAPOLBHTT
SCHEMBL2644442 0.81 ALDH1A1 (1.00) ALDH1A1HPGDLMNAPOLBHTT
SCHEMBL3467136 0.81 ALDH1A1 (0.63) ALDH1A1HPGDLMNAPOLBHTT
SCHEMBL21384242 0.80 ALDH1A1 (0.65) ALDH1A1HPGDLMNAPOLBHTT
SCHEMBL15884611 0.79 ALDH1A1 (0.70) ALDH1A1HPGDLMNAPOLBHTT
Hydrogen Sulfide SCHEMBL28084028 0.79 ALDH1A1 (0.96) ALDH1A1HPGDLMNAPOLBHTT

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
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
CN-102365273-A Thiadiazole and oxadiazole derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-02-29 CN disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
EP-2147473-A1 HYBRID FLUORESCENT/PHOSPHORESCENT OLEDS EASTMAN KODAK COMPANY (US) 2010-01-27 EP disclosed
WO-2008143791-A1 HYBRID FLUORESCENT/PHOSPHORESCENT OLEDS EASTMAN KODAK COMPANY (US) 2008-11-27 WO disclosed
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 US disclosed
WO-2006040569-A1 THIOPHENE AMIDE COMPOUNDS FOR USE IN THE TREATMENT OR PROPHYLAXIS OF CANCERS ASTEX THERAPEUTICS LIMITED (GB) 2006-04-20 WO disclosed
EP-1615907-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astex Therapeutics Limited (GB) 2006-01-18 EP disclosed
WO-2004089929-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTEX THERAPEUTICS LIMITED (GB) 2004-10-21 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 (3 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-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases CNKSR1, NOX5, NOX1 ALDH1A1 3896/4885HPGD 1147/4885LMNA 3000/4885
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 ALDH1A1 126/4885HPGD 28/4885LMNA 4261/4885
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ALDH1A1 458/4885HPGD 203/4885LMNA 2761/4885

“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.