SCHEMBL3045480

SCHEMBL3045480

Cc1nc(-c2nnn(Cc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.61
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP13 P45452 3/20 0.49
CHRM4 P08173 1/20 0.47
PPARA Q07869 1/20 0.47
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3043574 0.91 SCD (0.62) SCDSMN1; SMN2MMP13CHRM4PPARA
SCHEMBL3048959 0.87 SCD (0.62) SCDKDM4ESMN1; SMN2TDP1MMP13
SCHEMBL3049350 0.84 SCD (0.64) SCDKDM4ESMN1; SMN2TDP1CHRM4
SCHEMBL3056668 0.84 SCD (0.72) SCDKDM4ESMN1; SMN2TDP1CHRM4
SCHEMBL3046748 0.84 SCD (0.60) SCDMMP13
SCHEMBL3051524 0.82 SCD (0.49) SCDCHRM4POLBRAB9A
SCHEMBL13137832 0.82 SCD (0.60) SCDKDM4ESMN1; SMN2TDP1CHRM4
SCHEMBL3049262 0.79 SCD (0.60) SCDKDM4ESMN1; SMN2TDP1CHRM4
SCHEMBL12725843 0.77 CYP1A2 (0.72) SCDKDM4ESMN1; SMN2CHRM4POLB
SCHEMBL13137814 0.77 SCD (0.55) SCDKDM4ESMN1; SMN2TDP1CHRM4

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
EP-2121671-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS Novartis AG (CH) 2009-11-25 EP claimed
WO-2008074835-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO claimed
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
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 1/4885KDM4E 683/4885SMN1; SMN2 3581/4885

“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.