SCHEMBL3728207

SCHEMBL3728207

O=C(Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
DGAT1 O75907 2/20 0.43
KDM4E B2RXH2 1/20 0.42

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 SCHEMBL3728200 0.99 RXFP1 (0.48) RXFP1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL3737875 0.91 L3MBTL1 (0.59) RXFP1KMT2AMEN1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL3734681 0.90 L3MBTL1 (0.58) RXFP1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL3729167 0.90 RXFP1 (0.52) RXFP1KMT2AMEN1L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL3732897 0.89 RXFP1 (0.51) RXFP1KMT2AMEN1L3MBTL1RAB9A
SCHEMBL3723613 0.88 DGAT1 (0.56) RXFP1KMT2AMEN1L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL3728324 0.87 DGAT1 (0.55) RXFP1KMT2AMEN1L3MBTL1RAB9A
SCHEMBL3728387 0.87 DGAT1 (0.52) RXFP1KMT2AMEN1L3MBTL1RAB9A
SCHEMBL3733167 0.87 NPC1 (0.61) RXFP1KMT2AMEN1RAB9ANPC1
SCHEMBL3733387 0.86 NPC1 (0.52) RXFP1KMT2AMEN1RAB9ANPC1

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 RXFP1 4654/4885KMT2A 3443/4885MEN1 4844/4885

“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.