SCHEMBL23657602

SCHEMBL23657602

Cc1c(C(N)=O)nnc2cc(-c3ccccc3)nn12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.69
MAPT P10636 4/20 0.69
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 6/20 0.52
MAPK1 P28482 1/20 0.52
PDE10A Q9Y233 1/20 0.47
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CASP1 P29466 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 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
SCHEMBL3281807 0.79 CYP1A2 (0.46) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL5071859 0.70 MAPT (0.58) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL5068893 0.70 NPC1 (0.82) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL4738065 0.69 KDM4E (1.00) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL13258606 0.68 NPC1 (0.67) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL2680148 0.68 CYP1A2 (0.47) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL2678185 0.67 PHGDH (0.60)
SCHEMBL2303449 0.65 NPC1 (0.79) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL5270613 0.65 NPC1 (1.00) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL14864590 0.65 CYP1A2 (0.55) HSD17B10MAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 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 (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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA HSD17B10 344/4885MAPT 4875/4885NPC1 1022/4885

“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.