SCHEMBL3053097

SCHEMBL3053097

Cc1nc(-c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.59
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 2/20 0.49
EPHB4 P54760 2/20 0.47
TEK Q02763 2/20 0.47
TGM2 P21980 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
KDR P35968 1/20 0.45
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
S1PR1 P21453 1/20 0.44
CHRM4 P08173 1/20 0.44
HDAC1 Q13547 1/20 0.44
PPARA Q07869 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL3053065 0.88 SCD (0.62) SCDMAPTSMN1; SMN2NPC1GAA
SCHEMBL3046762 0.88 MAPT (0.55) SCDMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL3050161 0.87 SCD (0.76) SCDMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL3045570 0.86 SCD (0.84) SCDMAPTALDH1A1NPC1GAA
SCHEMBL3043267 0.85 SMN1; SMN2 (0.49) SCDMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL3036035 0.81 SCD (0.53) SCDMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL3046898 0.80 SCD (0.69) SCDMAPTCHRM4HDAC1PPARA
SCHEMBL3042621 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1NPC1GAAKDM4E
SCHEMBL981341 0.78 SMN1; SMN2 (0.71) MAPTSMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL3043042 0.77 SCD (0.50) SCDMAPTSMN1; SMN2NPC1GAA

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 10 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-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 US 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
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 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 SCD 1/4885MAPT 2947/4885SMN1; SMN2 3581/4885

“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.