SCHEMBL2312682

SCHEMBL2312682

CCCc1sc(N)nc1-c1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.75
ALDH1A1 P00352 3/20 0.75
GAA P10253 2/20 0.75
HTT P42858 3/20 0.73
MAPT P10636 3/20 0.54
FBP1 P09467 3/20 0.52
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.48
MYC P01106 1/20 0.48
WDR5 P61964 1/20 0.48
DCK P27707 1/20 0.46
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
TGFBR1 P36897 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40

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
SCHEMBL25352297 0.86 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1GAAHTTMAPT
SCHEMBL14726501 0.84 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1GAAHTTMAPT
Bromide SCHEMBL6897206 0.83 HTT (0.55) SMN1; SMN2ALDH1A1GAAHTTMAPT
Bromide SCHEMBL6898345 0.83 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1GAAHTTMAPT
Hydrochloric Acid SCHEMBL9091055 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1GAAHTTMAPT
SCHEMBL3178699 0.79 GAA (0.48) SMN1; SMN2ALDH1A1GAAHTTMAPT
SCHEMBL13892819 0.76 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1GAAHTTMAPT
SCHEMBL11863207 0.76 CYP1A2 (0.76) ALDH1A1CYP1A2PTGDR2
SCHEMBL10475629 0.75 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1GAAHTTMAPT
SCHEMBL131267 0.75 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1GAAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703761-B2 Organic compounds NOVARTIS AG (CH) 2014-04-22 US disclosed
EP-2559455-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2013-02-20 EP disclosed
EP-2548618-A2 Organic compounds Novartis AG (CH) 2013-01-23 EP disclosed
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed
EP-2349484-A2 HETEROARYL DERIVATIVES AS DGAT1 INHIBITORS Novartis AG (CH) 2011-08-03 EP disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 US disclosed
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 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-20100022513-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 SMN1; SMN2 4241/4885ALDH1A1 139/4885GAA 272/4885

“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.