SCHEMBL3728126

SCHEMBL3728126

O=C(Nc1nnc(CCc2cccc3ccccc23)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.44
SRC P12931 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
ABL1 P00519 1/20 0.43
PTGER3 P43115 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 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 SCHEMBL3726195 0.99 NPC1 (0.44) NPC1RAB9ASRCCASP3SENP7
SCHEMBL3727132 0.92 MEN1 (0.49) NPC1RAB9ASRCF2PLG
Hydrochloric Acid SCHEMBL3738278 0.91 MEN1 (0.48) NPC1RAB9ASRCF2PLG
SCHEMBL3736852 0.88 GLS (0.49) NPC1RAB9ASRCCASP3SENP7
Hydrochloric Acid SCHEMBL3729681 0.87 GLS (0.48) NPC1RAB9ASRCCASP3SENP7
SCHEMBL3738441 0.85 NPC1 (0.62) NPC1RAB9ASRCCASP3SENP7
SCHEMBL3737352 0.84 LMNA (0.47) NPC1RAB9AF2PLGPLAU
Hydrochloric Acid SCHEMBL3731968 0.84 NPC1 (0.61) NPC1RAB9ASRCCASP3SENP7
Hydrochloric Acid SCHEMBL3728976 0.84 LMNA (0.46) NPC1RAB9AF2PLGPLAU
SCHEMBL13347616 0.82 GAA (0.56) NPC1RAB9AF2PLGPLAU

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 NPC1 416/4885RAB9A 3330/4885SRC 3115/4885

“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.