SCHEMBL3053172

SCHEMBL3053172

Cc1cc(C(=N)NN)sc1C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PTGS2 P35354 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ SCD O00767 2/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 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
SCHEMBL3053289 0.77 HPGD (0.57) CHRM4ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL3051882 0.73 CHRM4 (0.50) CHRM4ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL10162035 0.70 NPC1 (0.69) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL3046807 0.70 SCD (0.47) CHRM4ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL12272387 0.69 ESRRG (0.46) SCDCSNK2A2KDRPLK1CSNK2B
SCHEMBL426967 0.69 CHRM4 (1.00) CHRM4ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL3049318 0.69 KMT2A (0.66) ALDH1A1HPGDPTGS2MEN1CYP2C19
SCHEMBL23474257 0.69 CSNK2A2 (0.55) CHRM4ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL4431767 0.68 SCD (0.58) HPGDSCD
SCHEMBL244826 0.68 SCD (0.64) CHRM4ALDH1A1SCD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CHRM4 3011/4885ALDH1A1 451/4885HPGD 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.

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