SCHEMBL30125422

SCHEMBL30125422

CNCc1cccc(CN)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.53
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
PRMT6 Q96LA8 7/20 0.50
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
EPHX2 P34913 1/20 0.47
NOS3 P29474 4/20 0.47
NOS2 P35228 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
HTR7 P34969 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
SCHEMBL3363042 1.00 NOS1 (0.53) NOS1CYP3A4KDM4EMAPTPRMT6
SCHEMBL22181074 0.94 CYP3A4 (0.61) NOS1CYP3A4KDM4EMAPTPRMT6
SCHEMBL8986195 0.90 PRMT6 (0.64) NOS1CYP3A4KDM4EMAPTPRMT6
SCHEMBL1697126 0.89 MAPT (0.64) NOS1CYP3A4KDM4EMAPTPRMT6
Hydrochloric Acid SCHEMBL3273205 0.86 MAPT (0.68) NOS1CYP3A4KDM4EMAPTPRMT6
N-Benzylmethylamine SCHEMBL8215110 0.84 CYP3A4 (0.74) NOS1CYP3A4KDM4EMAPTPRMT6
Water SCHEMBL28545356 0.83 LOXL2 (0.67) NOS1CYP3A4PRMT6PNMTENPP2
N-Benzylmethylamine SCHEMBL607789 0.83 MAPT (0.78) NOS1CYP3A4KDM4EMAPTPRMT6
SCHEMBL30186883 0.82 LOXL2 (0.52) NOS1CYP3A4PRMT6PNMTENPP2
SCHEMBL834002 0.82 LOXL2 (0.52) NOS1CYP3A4PRMT6PNMTENPP2

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-11530226-B2 Azepane inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 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-11530226-B2 Azepane inhibitors of menin-MLL interaction MEN1, MLLT1, BMI1 NOS1 4550/4885CYP3A4 4491/4885KDM4E 132/4885

“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.