Sugi Predict

Sugi Predict / Compounds / SCHEMBL3053065

SCHEMBL3053065

SCHEMBL3053065

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.62
▸ MAPT P10636 3/20 0.54
▸ RAB9A P51151 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CASP3 P42574 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
SCHEMBL3050161 0.90 SCD (0.76) SCDMAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL3043042 0.89 SCD (0.50) SCDMAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL3053097 0.88 SCD (0.59) SCDMAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL3045472 0.87 SCD (0.56) SCDMAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL3045596 0.85 SCD (0.89) SCDMAPT
SCHEMBL3045496 0.84 RAB9A (0.49) SCDMAPTRAB9AKDM4ESMN1; SMN2
Fluorobenzene SCHEMBL27905966 0.84 SCD (0.54) SCDMAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL3056668 0.79 SCD (0.72) SCDRAB9AKDM4ESMN1; SMN2POLB
SCHEMBL3043036 0.78 SCD (0.69) SCDMAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL3053751 0.77 SCD (1.00) 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 11 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
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 2947/4885RAB9A 4305/4885

“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.