SCHEMBL3737958

SCHEMBL3737958

N#CCOc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.60
▸ ADRA2A P08913 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ ADRA2B P18089 1/20 0.60
▸ ADRA2C P18825 1/20 0.60
▸ TACR2 P21452 1/20 0.60
▸ DRD1 P21728 1/20 0.60
▸ SLC6A2 P23975 1/20 0.60
▸ HTR2A P28223 1/20 0.60
▸ HTR2C P28335 1/20 0.60
▸ ADORA1 P30542 1/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ OPRM1 P35372 1/20 0.60
▸ DRD3 P35462 1/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ HTR6 P50406 1/20 0.60
▸ SLC6A3 Q01959 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ GALE Q14376 1/20 0.60
▸ LMNA P02545 2/20 0.43

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
SCHEMBL11261536 0.79 MAPT (0.54) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL2641377 0.78 NR1I2 (0.60) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL11028837 0.78 MRGPRX4 (0.53) TSHRTDP1MAOBMAPK1
SCHEMBL30041450 0.76 ALOX5AP (0.39) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL8878658 0.76 ALOX5AP (0.39) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL24696922 0.76 ALOX5AP (0.39) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL27330897 0.76 NR1I2 (0.38) NR1I2ADRA2AADORA3ADRA2BADRA2C
Haloprogin SCHEMBL8165340 0.75 NR1I2 (1.00) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL14529596 0.75 NR1I2 (0.67) NR1I2ADRA2AADORA3ADRA2BADRA2C
Haloprogin SCHEMBL3649 0.75 NR1I2 (1.00) NR1I2ADRA2AADORA3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US disclosed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 — — EP disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 — — WO disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 — — 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 (1 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 NR1I2 354/4885ADRA2A 2653/4885ADORA3 1757/4885

“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.

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