SCHEMBL601312

SCHEMBL601312

O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(OC2CCC(C(=O)O)CC2)nc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.75
NOX1 Q9Y5S8 3/20 0.49
HDAC1 Q13547 2/20 0.47
SOAT1 P35610 1/20 0.44
KCNH2 Q12809 1/20 0.44
WNT3A P56704 3/20 0.43
HDAC2 Q92769 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA3 P0DMS8 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
SCHEMBL601311 1.00 DGAT1 (0.75) DGAT1NOX1HDAC1SOAT1KCNH2
SCHEMBL602254 0.90 DGAT1 (0.78) DGAT1NOX1WNT3ANPC1RAB9A
SCHEMBL602253 0.90 DGAT1 (0.78) DGAT1NOX1WNT3ANPC1RAB9A
SCHEMBL601428 0.88 DGAT1 (0.65) DGAT1HDAC1WNT3AHDAC2NPC1
SCHEMBL601455 0.88 DGAT1 (0.65) DGAT1HDAC1WNT3AHDAC2NPC1
SCHEMBL601071 0.86 DGAT1 (1.00) DGAT1NPC1RAB9A
SCHEMBL601072 0.86 DGAT1 (1.00) DGAT1NPC1RAB9A
SCHEMBL601938 0.84 DGAT1 (0.55) DGAT1NOX1WNT3ANPC1RAB9A
SCHEMBL601939 0.84 DGAT1 (0.55) DGAT1NOX1WNT3ANPC1RAB9A
SCHEMBL3668678 0.80 DGAT1 (0.64) DGAT1NOX1WNT3ANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US claimed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 DGAT1 3495/4885NOX1 194/4885HDAC1 647/4885

“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.