SCHEMBL3729161

SCHEMBL3729161

O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
CASP6 P55212 1/20 0.47
PTGER1 P34995 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DGAT1 O75907 3/20 0.43
SLC2A1 P11166 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 2/20 0.41
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 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 SCHEMBL3729889 0.99 KMT2A (0.46) KMT2AMEN1MAPTLMNACASP6
SCHEMBL3727614 0.91 PTGER1 (0.43) KMT2AMEN1MAPTLMNACASP6
Hydrochloric Acid SCHEMBL3728775 0.90 PTGER1 (0.44) KMT2AMEN1MAPTLMNACASP6
SCHEMBL3732002 0.90 DGAT1 (0.54) KMT2AMEN1MAPTLMNACASP6
Hydrochloric Acid SCHEMBL3734745 0.89 DGAT1 (0.53) KMT2AMEN1MAPTLMNACASP6
SCHEMBL3737875 0.88 L3MBTL1 (0.59) KMT2AMEN1MAPTL3MBTL1DGAT1
Hydrochloric Acid SCHEMBL3734681 0.87 L3MBTL1 (0.58) KMT2AMEN1MAPTPTGER1L3MBTL1
SCHEMBL3725536 0.87 PTGER1 (0.43) KMT2AMEN1MAPTLMNACASP6
Hydrochloric Acid SCHEMBL3728339 0.86 PTGER1 (0.44) KMT2AMEN1MAPTLMNACASP6
SCHEMBL3723613 0.85 DGAT1 (0.56) KMT2AMEN1LMNAL3MBTL1DGAT1

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 KMT2A 3443/4885MEN1 4844/4885MAPT 2890/4885

“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.