SCHEMBL3046807

SCHEMBL3046807

Cc1cc(-c2nc[nH]n2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ CCR1 P32246 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ CYP1A2 P05177 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
SCHEMBL3046884 0.89 TSHR (0.51) ALDH1A1HPGDMMP13MAPTMAPK1
SCHEMBL3045362 0.81 SCD (0.70) SCDCHRM4CSNK2A2KDRPLK1
SCHEMBL3053289 0.73 HPGD (0.57) SCDCHRM4ALDH1A1HPGDKMT2A
SCHEMBL3053672 0.73 SCD (0.48) SCDCHRM4CCR1MAPT
SCHEMBL3042184 0.73 SCD (0.60) SCDCHRM4ALDH1A1HPGDKMT2A
SCHEMBL3455051 0.72 SCD (0.46) SCDCHRM4CCR1ALDH1A1HPGD
SCHEMBL3454791 0.72 KDM4E (0.48) SCDCHRM4CCR1ALDH1A1HPGD
SCHEMBL10782201 0.71 ALDH1A1 (0.55) ALDH1A1HPGDKMT2AMMP13HPGDS
SCHEMBL3051882 0.70 CHRM4 (0.50) SCDCHRM4CSNK2A2KDRPLK1
SCHEMBL3053172 0.70 CHRM4 (0.53) SCDCHRM4CSNK2A2KDRPLK1

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 9 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-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 1/4885CHRM4 3011/4885CSNK2A2 2881/4885

“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.

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