SCHEMBL3733423

SCHEMBL3733423

O=C(Nc1nnc(COc2cccc(C(F)(F)F)c2)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 5/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HSD17B10 Q99714 2/20 0.46
PKM P14618 1/20 0.46
FFAR1 O14842 1/20 0.46
SCD O00767 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
DGAT1 O75907 1/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 3/20 0.42
ASIC3 Q9UHC3 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ABL1 P00519 1/20 0.42
TP53 P04637 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 SCHEMBL3725321 0.99 LMNA (0.49) LMNAALDH1A1RXFP1HSD17B10PKM
SCHEMBL13347613 0.91 ALDH1A1 (0.49) LMNAALDH1A1RXFP1HSD17B10SCD
Hydrochloric Acid SCHEMBL3727809 0.90 ALDH1A1 (0.48) LMNAALDH1A1RXFP1HSD17B10SCD
SCHEMBL3731004 0.89 LMNA (0.52) LMNAALDH1A1RXFP1SMN1; SMN2DGAT1
Hydrochloric Acid SCHEMBL3731011 0.88 LMNA (0.51) LMNAALDH1A1RXFP1SMN1; SMN2DGAT1
SCHEMBL3737630 0.87 LMNA (0.52) LMNAALDH1A1RXFP1HSD17B10FFAR1
Hydrochloric Acid SCHEMBL3727144 0.87 LMNA (0.51) LMNAALDH1A1RXFP1HSD17B10FFAR1
SCHEMBL3729733 0.86 SCD (0.57) ALDH1A1RXFP1HSD17B10SCDDGAT1
SCHEMBL3723628 0.85 KMT2A (0.41) LMNAALDH1A1RXFP1HSD17B10SCD
SCHEMBL3729152 0.85 MRGPRX4 (0.44) SCDKMT2ANPSR1

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 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.