SCHEMBL13100232

SCHEMBL13100232

CCNCc1ccnnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.48
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.34
HTT P42858 1/20 0.34
KCNQ2 O43526 1/20 0.34
VNN1 O95497 1/20 0.33
CHRM4 P08173 1/20 0.32
PARP1 P09874 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.31

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
SCHEMBL9055053 0.78
SCHEMBL7996096 0.76 LOXL2 (0.55) LOXL2CYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL211808 0.76 GAA (0.49) CYP2D6ALDH1A1NPSR1LMNAGAA
SCHEMBL9971270 0.76
SCHEMBL237443 0.75
SCHEMBL6631575 0.75 LOXL2 (0.44) LOXL2CYP1A2CYP2D6ALDH1A1NPSR1
SCHEMBL19696183 0.74
SCHEMBL9077949 0.74
SCHEMBL21431900 0.74
SCHEMBL9077951 0.74

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-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 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-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 LOXL2 3529/4885CYP1A2 2808/4885CYP2D6 3082/4885

“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.