SCHEMBL20840948

SCHEMBL20840948

c1ccc2sc(-c3ccc4oc(-c5ccc6nc[nH]c6c5)cc4c3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
QPCT Q16769 10/20 0.42
MAPT P10636 1/20 0.42
QPCTL Q9NXS2 3/20 0.39
TERT O14746 1/20 0.39
APP P05067 2/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ERN1 O75460 1/20 0.37
RIPK2 O43353 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL18746471 0.92 KDM4E (0.46) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL19368366 0.89 KDM4E (0.49) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL23136933 0.86 QPCT (0.52) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL22871240 0.83 APP (0.38) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL19134465 0.81 KDM4E (0.63) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL22363333 0.81 APP (0.40) NPC1APPBRD4ERN1CA1
SCHEMBL20341033 0.79 QPCT (0.44) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL18610454 0.78 QPCT (0.45) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL21288060 0.77 CDK8 (0.45) APP
SCHEMBL19228644 0.76 APP (0.49) KDM4ENPC1ALDH1A1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253013-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-04-09 US disclosed
US-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2019-03-26 US 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-10253013-B2 Selective matrix metalloproteinase inhibitors MMP14, MMP9, MMP13 KDM4E 1716/4885NPC1 2049/4885ALDH1A1 1407/4885
US-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors PDE12, PDE2A, PDE3A KDM4E 2393/4885NPC1 3338/4885ALDH1A1 1054/4885

“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.