SCHEMBL3727329

SCHEMBL3727329

O=C(Nc1nnc(COc2ccc(F)cc2C(F)(F)F)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ESRRA P11474 2/20 0.41
MELK Q14680 1/20 0.41
DGAT1 O75907 1/20 0.41
NOX1 Q9Y5S8 1/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
WNT3A P56704 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SCD O00767 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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 SCHEMBL3738181 0.99 NPSR1 (0.41) NPSR1MEN1KMT2AESRRAMELK
SCHEMBL3733415 0.94 NPSR1 (0.41) NPSR1MEN1KMT2AESRRAMELK
Hydrochloric Acid SCHEMBL3731591 0.93 NPSR1 (0.41) NPSR1MEN1KMT2AESRRAMELK
SCHEMBL3733583 0.92 LMNA (0.44) NPSR1MEN1KMT2ADGAT1MAPT
Hydrochloric Acid SCHEMBL3733723 0.91 LMNA (0.43) NPSR1MEN1KMT2ADGAT1MAPT
SCHEMBL3732943 0.90 MAPT (0.46) NPSR1MEN1KMT2AMELKDGAT1
Hydrochloric Acid SCHEMBL3734085 0.89 MAPT (0.45) NPSR1MEN1KMT2AMELKDGAT1
SCHEMBL3738378 0.89 NPSR1 (0.44) NPSR1MEN1KMT2AMELKDGAT1
Hydrochloric Acid SCHEMBL3729980 0.88 NPSR1 (0.44) NPSR1MEN1KMT2AMELKDGAT1
SCHEMBL3736467 0.87 LMNA (0.42) NPSR1MEN1KMT2AMAPTHTT

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 4 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
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 NPSR1 4674/4885MEN1 4844/4885KMT2A 3443/4885

“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.