SCHEMBL1036093

SCHEMBL1036093

CN1CCc2nc(Cl)c(C#N)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 9/20 0.50
MAPT P10636 9/20 0.50
ALDH1A1 P00352 8/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 3/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
HIF1A Q16665 1/20 0.50
USP2 O75604 3/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.49
CYP2C19 P33261 1/20 0.47
PKM P14618 2/20 0.45
CASP1 P29466 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
SCHEMBL19674713 0.83 KDM4E (0.54) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL14954856 0.82 MAPT (0.50) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL10272299 0.82 MAPT (0.52) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL19664913 0.79 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL10272301 0.78 MAPT (0.49) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL3294834 0.78 CYP2C19 (0.49) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL31647697 0.76 KMT2A (0.60) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL1036005 0.76 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL29757605 0.76 CYP2C19 (0.47) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL5624979 0.76 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EALDH1A1GAAKMT2A

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-20230084927-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF METABOMED LTD. (IL) 2023-03-16 US disclosed
EP-4058027-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF Metabomed Ltd (IL) 2022-09-21 EP disclosed
WO-2021095032-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF METABOMED LTD (IL) 2021-05-20 WO disclosed
WO-2021095032-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF METABOMED LTD (IL) 2021-05-20 WO disclosed
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-02-24 US disclosed
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-02-24 US disclosed
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-02-24 US disclosed
EP-2268638-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-01-05 EP disclosed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 WO disclosed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 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 (2 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-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH4, HRH3, HRH1 SMN1; SMN2 4504/4885KDM4E 467/4885MAPT 2721/4885
US-20230084927-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF SLC2A4, SLC2A1, SLC2A2 SMN1; SMN2 3756/4885KDM4E 2887/4885MAPT 3925/4885

“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.