SCHEMBL3733427

SCHEMBL3733427

COc1ccc(OCc2nnc(NC(=O)c3ccc4c(c3)CCNC4)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.55
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
ALDH1A1 P00352 5/20 0.52
RXFP1 Q9HBX9 2/20 0.52
LMNA P02545 2/20 0.52
GLS O94925 1/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.46

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 SCHEMBL3733418 0.99 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
SCHEMBL3728312 0.91 KMT2A (0.58) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
SCHEMBL3731994 0.91 KMT2A (0.55) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
Hydrochloric Acid SCHEMBL3733698 0.90 KMT2A (0.58) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
Hydrochloric Acid SCHEMBL3738248 0.90 KMT2A (0.54) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
SCHEMBL13347629 0.90 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
SCHEMBL3731071 0.89 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
SCHEMBL13347612 0.89 MEN1 (0.64) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
Hydrochloric Acid SCHEMBL3733993 0.89 LMNA (0.49) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1
SCHEMBL13347621 0.89 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1RXFP1

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 SMN1; SMN2 2732/4885NPC1 416/4885RAB9A 3330/4885

“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.