SCHEMBL3734015

SCHEMBL3734015

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 7/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
SLC2A1 P11166 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 2/20 0.41

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 SCHEMBL3727846 0.99 PTGER1 (0.47) PTGER1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3737928 0.93 PTGER1 (0.48) PTGER1KMT2AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL3728178 0.92 PTGER1 (0.48) PTGER1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3725732 0.92 NPSR1 (0.42) PTGER1KMT2AALDH1A1HPGDNPSR1
SCHEMBL3740025 0.91 NPSR1 (0.47) PTGER1KMT2AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL3725221 0.91 NPSR1 (0.42) PTGER1KMT2AALDH1A1HPGDNPSR1
SCHEMBL3729076 0.90 LMNA (0.46) PTGER1KMT2AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL3734756 0.90 NPSR1 (0.46) PTGER1KMT2AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL3728294 0.90 LMNA (0.45) PTGER1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3723628 0.89 KMT2A (0.41) PTGER1KMT2AALDH1A1HPGDHSD17B10

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 PTGER1 923/4885KMT2A 3443/4885ALDH1A1 458/4885

“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.