SCHEMBL3045362

SCHEMBL3045362

Cc1cc(-c2n[nH]c(Cc3ccccc3)n2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.70
▸ KLKB1 P03952 4/20 0.51
▸ CHRM4 P08173 2/20 0.50
▸ ROCK2 O75116 2/20 0.47
▸ GRK2 P25098 2/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ PRKCA P17252 1/20 0.45
▸ GRK5 P34947 1/20 0.45
▸ GRK3 P35626 1/20 0.45
▸ GRK7 Q8WTQ7 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL3042184 0.91 SCD (0.60) SCDKLKB1CHRM4ROCK2GRK2
SCHEMBL3046804 0.87 SCD (0.54) SCDKLKB1HDAC6NR1H2NR1H3
SCHEMBL3054068 0.83 SCD (1.00) SCDKLKB1HDAC6NPC1
SCHEMBL3046807 0.81 SCD (0.47) SCDCHRM4CSNK2A2KDRPLK1
SCHEMBL14162241 0.78 SCD (0.45) SCDCHRM4ROCK2GRK2POLB
SCHEMBL3046627 0.78 SCD (0.46) SCDKLKB1HDAC6NR1H2NR1H3
SCHEMBL27785697 0.73 HPGD (0.48) SCDCHRM4POLBRAB9A
SCHEMBL3053289 0.71 HPGD (0.57) SCDCHRM4HDAC6
SCHEMBL3454791 0.70 KDM4E (0.48) SCDCHRM4CCR1
SCHEMBL3046884 0.70 TSHR (0.51) POLB

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 8 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-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
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 1/4885KLKB1 4206/4885CHRM4 3011/4885

“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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