SCHEMBL3045369

SCHEMBL3045369

COC(=O)c1sc(NN)nc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
NPC1 O15118 6/20 0.59
HPGD P15428 5/20 0.59
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3046343 0.85 ALDH1A1 (0.70) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL22750819 0.83 HPGD (0.46) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL22750815 0.81 ALDH1A1 (0.53) RAB9ANPC1HPGDPOLBSMN1; SMN2
SCHEMBL12309834 0.80 RAB9A (0.57) RAB9ANPC1HPGDPOLBSMN1; SMN2
SCHEMBL22750807 0.79 ALDH1A1 (0.51) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL7268576 0.78 HPGD (0.55) RAB9ANPC1HPGDPOLBSMN1; SMN2
SCHEMBL276275 0.78 ALDH1A1 (0.62) RAB9ANPC1HPGDPOLBPKM
SCHEMBL10049913 0.77 NPC1 (0.54) RAB9ANPC1HPGDPOLBSMN1; SMN2
SCHEMBL25405454 0.77 GAA (0.72) RAB9ANPC1HPGDPOLBSMN1; SMN2
SCHEMBL28340102 0.76 ALDH1A1 (0.68) RAB9ANPC1HPGDPOLBSMN1; SMN2

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
CN-101595105-B 2-substituted 5-membered heterocycles as SCD inhibitors NOVARTIS AG 2013-01-23 CN disclosed
US-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101595105-A 5 membered heterocyclic compounds that replace as the 2-of SCD inhibitor NOVARTIS AG XENON PHARMACEUTIC (CH) 2009-12-02 CN disclosed
EP-2121671-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008074835-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100029722-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 RAB9A 4305/4885NPC1 228/4885HPGD 344/4885

“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.