SCHEMBL3738441

SCHEMBL3738441

O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
SRC P12931 3/20 0.62
CASP3 P42574 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
SENP6 Q9GZR1 1/20 0.62
ABL1 P00519 2/20 0.60
RXFP1 Q9HBX9 2/20 0.57
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 2/20 0.53
DGAT1 O75907 1/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47

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 SCHEMBL3731968 0.99 NPC1 (0.61) NPC1RAB9ASRCCASP3SENP7
SCHEMBL3733167 0.91 NPC1 (0.61) NPC1RAB9ASRCCASP3SENP7
Hydrochloric Acid SCHEMBL3727344 0.90 NPC1 (0.60) NPC1RAB9ASRCCASP3SENP7
SCHEMBL13347616 0.87 GAA (0.56) NPC1RAB9AALDH1A1KMT2APOLB
SCHEMBL3736852 0.87 GLS (0.49) NPC1RAB9ASRCCASP3SENP7
Hydrochloric Acid SCHEMBL3729681 0.86 GLS (0.48) NPC1RAB9ASRCCASP3SENP7
Hydrochloric Acid SCHEMBL3729983 0.86 GAA (0.55) NPC1RAB9AALDH1A1KMT2APOLB
SCHEMBL3728126 0.85 NPC1 (0.45) NPC1RAB9ASRCCASP3SENP7
Hydrochloric Acid SCHEMBL3726195 0.85 NPC1 (0.44) NPC1RAB9ASRCCASP3SENP7
SCHEMBL4276252 0.83 POLB (0.48) NPC1RAB9AABL1ALDH1A1MEN1

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.