SCHEMBL3733583

SCHEMBL3733583

O=C(Nc1nnc(COc2ccccc2C(F)(F)F)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ABL1 P00519 1/20 0.42
WNT3A P56704 2/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCD O00767 1/20 0.40
DGAT1 O75907 1/20 0.40
HPGD P15428 2/20 0.39
SYK P43405 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGER3 P43115 1/20 0.39

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 SCHEMBL3733723 0.99 LMNA (0.43) LMNAALDH1A1RXFP1KMT2AMEN1
SCHEMBL3736467 0.92 LMNA (0.42) LMNAALDH1A1RXFP1KMT2AMEN1
SCHEMBL3733415 0.92 NPSR1 (0.41) LMNAALDH1A1RXFP1KMT2AMEN1
SCHEMBL3727329 0.92 NPSR1 (0.41) LMNAALDH1A1RXFP1KMT2AMEN1
Hydrochloric Acid SCHEMBL3728229 0.91 LMNA (0.41) LMNAALDH1A1RXFP1KMT2AMEN1
Hydrochloric Acid SCHEMBL3731591 0.91 NPSR1 (0.41) LMNAALDH1A1RXFP1KMT2AMEN1
Hydrochloric Acid SCHEMBL3738181 0.91 NPSR1 (0.41) LMNAALDH1A1RXFP1KMT2AMEN1
SCHEMBL3723591 0.89 MAPT (0.54) LMNAALDH1A1RXFP1KMT2AMEN1
Hydrochloric Acid SCHEMBL3728221 0.88 MAPT (0.53) LMNAALDH1A1RXFP1KMT2AMEN1
SCHEMBL3727638 0.87 RXFP1 (0.50) LMNAALDH1A1RXFP1KMT2AMEN1

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
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

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 LMNA 2761/4885ALDH1A1 458/4885RXFP1 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.