SCHEMBL3043064

SCHEMBL3043064

Cc1nc(-c2cn(CC(F)(F)c3ccccc3)nn2)sc1C(=O)NCc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.65
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRM4 P08173 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
SCHEMBL3045392 0.88 SCD (0.84) SCDPOLBRAB9AKDM4ESMN1; SMN2
SCHEMBL3046898 0.86 SCD (0.69) SCDCHRM4
SCHEMBL3056668 0.83 SCD (0.72) SCDPOLBRAB9AKDM4ESMN1; SMN2
SCHEMBL3045565 0.82 SCD (0.61) SCDPOLBRAB9AKDM4ESMN1; SMN2
SCHEMBL3040175 0.82 SCD (0.62) SCDPOLBRAB9AKDM4ESMN1; SMN2
SCHEMBL3049262 0.82 SCD (0.60) SCDPOLBRAB9AKDM4ESMN1; SMN2
SCHEMBL3036035 0.81 SCD (0.53) SCDPOLBRAB9AKDM4ESMN1; SMN2
SCHEMBL13137858 0.80 SCD (0.51) SCDPOLBRAB9ACHRM4
SCHEMBL3045570 0.79 SCD (0.84) SCDCHRM4
SCHEMBL3053751 0.79 SCD (1.00) SCDSMN1; SMN2CHRM4

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 10 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
EP-2118028-A1 A SYSTEM AND METHOD FOR MANUFACTURING FIBRES Vivoxid Oy (FI) 2009-11-18 EP disclosed
WO-2008099058-A1 A SYSTEM AND METHOD FOR MANUFACTURING FIBRES VIVOXID OY (FI) 2008-08-21 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 1/4885POLB 2337/4885RAB9A 4305/4885

“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.