SCHEMBL3048959

SCHEMBL3048959

Cc1nc(-c2nnn(CCOc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.62
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.47
PPARA Q07869 1/20 0.47
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP13 P45452 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM4 P08173 1/20 0.42
POLB P06746 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
SCHEMBL3045480 0.87 SCD (0.61) SCDKDM4ESMN1; SMN2TDP1PPARA
SCHEMBL3054034 0.85 SCD (0.67) SCDKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL13137873 0.84 SCD (0.62) SCDKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL3043574 0.80 SCD (0.62) SCDSMN1; SMN2PPARAMMP13MEN1
SCHEMBL3051524 0.80 SCD (0.49) SCDLMNAMAPK1ALDH1A1HPGD
SCHEMBL3046748 0.80 SCD (0.60) SCDMMP13
SCHEMBL13137802 0.76 SCD (0.55) SCDKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL245396 0.76 SCD (1.00) SCD
SCHEMBL13137868 0.76 SCD (0.53) SCDTSHRLMNAMAPK1MEN1
SCHEMBL3049262 0.75 SCD (0.60) 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 9 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
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.