Sugi Predict

Sugi Predict / Compounds / SCHEMBL3046804

SCHEMBL3046804

SCHEMBL3046804

Cc1cc(-c2n[nH]c(Cc3ccccc3)n2)sc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.54
▸ NR1H2 P55055 3/20 0.51
▸ NR1H3 Q13133 2/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KLKB1 P03952 2/20 0.43
▸ ALPL P05186 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ ADORA2A P29274 3/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ APLNR P35414 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39

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
SCHEMBL3045362 0.87 SCD (0.70) SCDNR1H2NR1H3NPC1POLB
SCHEMBL3046627 0.83 SCD (0.46) SCDNR1H2NR1H3NPC1POLB
SCHEMBL3054068 0.70 SCD (1.00) SCDNPC1HDAC6KLKB1SMN1; SMN2
SCHEMBL19224520 0.70 NR1H2 (0.56) NR1H2NR1H3NPC1POLBRAB9A
SCHEMBL3585269 0.69 KDM4E (0.56) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1528283 0.69 NR1H2 (1.00) SCDNR1H2NR1H3NPC1POLB
SCHEMBL24167145 0.67 NR1H2 (0.53) SCDNR1H2NR1H3NPC1POLB
SCHEMBL26108941 0.66 NR1H2 (0.62) SCDNR1H2NR1H3NPC1POLB
SCHEMBL2170554 0.65 KDM4E (0.57) NPC1RAB9AHDAC6LMNA
SCHEMBL1165128 0.65 NR1H2 (0.60) NR1H2NR1H3NPC1POLBRAB9A

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 1/4885NR1H2 42/4885NR1H3 50/4885

“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.

Send feedback