SCHEMBL3727640

SCHEMBL3727640

N#CCOc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 19/20 0.58

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
SCHEMBL3737321 0.87 MRGPRX4 (0.45) MRGPRX4
SCHEMBL9145901 0.84 MRGPRX4 (0.59) MRGPRX4
SCHEMBL11008861 0.84 MRGPRX4 (0.51) MRGPRX4
SCHEMBL11260287 0.83 HTR2A (0.47) MRGPRX4
SCHEMBL11442106 0.82 AR (0.49) MRGPRX4
SCHEMBL11436001 0.82 FFAR1 (0.46) MRGPRX4
SCHEMBL6814760 0.79 PTGDR2 (0.42) MRGPRX4
SCHEMBL10349092 0.78 MRGPRX4 (0.55) MRGPRX4
SCHEMBL12128991 0.78 MRGPRX4 (0.55) MRGPRX4
SCHEMBL9440419 0.78 SLC6A2 (0.44) MRGPRX4

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 1 patent. 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

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 4607/4885

“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.