SCHEMBL3729152

SCHEMBL3729152

O=C(Nc1nnc(COc2ccc(C(F)(F)F)cc2Cl)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.44
SCD O00767 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.41
PTGER1 P34995 1/20 0.40

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
Hydrochloric Acid SCHEMBL3727309 0.99 MRGPRX4 (0.44) MRGPRX4SCDNPSR1KMT2APTGER1
SCHEMBL3723628 0.94 KMT2A (0.41) MRGPRX4SCDNPSR1KMT2APTGER1
Hydrochloric Acid SCHEMBL3729634 0.93 KMT2A (0.41) MRGPRX4SCDNPSR1KMT2APTGER1
SCHEMBL13347615 0.92 NPSR1 (0.44) NPSR1KMT2APTGER1
Hydrochloric Acid SCHEMBL3730983 0.91 NPSR1 (0.44) NPSR1KMT2APTGER1
SCHEMBL3738378 0.90 NPSR1 (0.44) NPSR1KMT2APTGER1
SCHEMBL3737928 0.89 PTGER1 (0.48) NPSR1KMT2APTGER1
Hydrochloric Acid SCHEMBL3729980 0.89 NPSR1 (0.44) NPSR1KMT2APTGER1
Hydrochloric Acid SCHEMBL3728178 0.89 PTGER1 (0.48) NPSR1KMT2APTGER1
SCHEMBL13347631 0.88 MRGPRX4 (0.41) MRGPRX4SCDNPSR1KMT2APTGER1

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 claimed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 EP claimed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO claimed
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

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 MRGPRX4 4607/4885SCD 1/4885NPSR1 4674/4885

“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.