SCHEMBL3723628

SCHEMBL3723628

O=C(Nc1nnc(COc2cc(C(F)(F)F)ccc2Cl)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
SCD O00767 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
PTGER1 P34995 2/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
DGAT1 O75907 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 SCHEMBL3729634 0.99 KMT2A (0.41) KMT2AMEN1SCDNPSR1ALDH1A1
SCHEMBL3729152 0.94 MRGPRX4 (0.44) KMT2ASCDNPSR1PTGER1MRGPRX4
Hydrochloric Acid SCHEMBL3727309 0.93 MRGPRX4 (0.44) KMT2ASCDNPSR1PTGER1MRGPRX4
SCHEMBL3725732 0.90 NPSR1 (0.42) KMT2AMEN1NPSR1ALDH1A1RXFP1
SCHEMBL3734015 0.89 PTGER1 (0.46) KMT2ANPSR1ALDH1A1RXFP1PTGER1
Hydrochloric Acid SCHEMBL3725221 0.89 NPSR1 (0.42) KMT2AMEN1NPSR1ALDH1A1RXFP1
Hydrochloric Acid SCHEMBL3727846 0.89 PTGER1 (0.47) KMT2ANPSR1ALDH1A1RXFP1PTGER1
SCHEMBL13347613 0.88 ALDH1A1 (0.49) KMT2AMEN1SCDALDH1A1RXFP1
SCHEMBL3740025 0.88 NPSR1 (0.47) KMT2ANPSR1ALDH1A1RXFP1PTGER1
Hydrochloric Acid SCHEMBL3727809 0.87 ALDH1A1 (0.48) KMT2AMEN1SCDALDH1A1RXFP1

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 KMT2A 3443/4885MEN1 4844/4885SCD 1/4885

“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.