SCHEMBL3729487

SCHEMBL3729487

O=C(Nc1nnc(Cc2ccccc2OC(F)(F)F)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
WNT3A P56704 11/20 0.42
RXFP1 Q9HBX9 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
SRC P12931 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DGAT1 O75907 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 SCHEMBL3738060 0.99 PTPN1 (0.44) PTPN1WNT3ARXFP1LMNAMEN1
SCHEMBL3737330 0.87 PTPN1 (0.43) PTPN1WNT3ARXFP1LMNAMEN1
Hydrochloric Acid SCHEMBL3729498 0.86 PTPN1 (0.42) PTPN1WNT3ARXFP1LMNAMEN1
SCHEMBL3731619 0.86 DGAT1 (0.54) RXFP1LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3733892 0.85 DGAT1 (0.53) RXFP1LMNAMEN1KMT2AMAPT
SCHEMBL13347614 0.85 MEN1 (0.49) PTPN1RXFP1LMNAMEN1KMT2A
SCHEMBL3727601 0.84 MEN1 (0.44) PTPN1RXFP1LMNAMEN1KMT2A
SCHEMBL3732002 0.84 DGAT1 (0.54) RXFP1LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3726986 0.84 MEN1 (0.48) PTPN1RXFP1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL3726314 0.84 MEN1 (0.43) PTPN1RXFP1LMNAMEN1KMT2A

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 PTPN1 4053/4885WNT3A 2482/4885RXFP1 4654/4885

“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.