SCHEMBL25429336

SCHEMBL25429336

Nc1cc(N)n(-c2nc3ccccc3[nH]2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ MAPT P10636 6/20 0.56
▸ NPC1 O15118 5/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ TP53 P04637 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ GLA P06280 2/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ CCR6 P51684 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ PAX8 Q06710 2/20 0.51
▸ PKM P14618 2/20 0.51

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
SCHEMBL15246754 0.82 RAB9A (0.61) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL861076 0.73 ALDH1A1 (0.49) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL1801245 0.72 RAB9A (0.49) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL21295 0.72 KMT2A (0.70) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL29668346 0.72 KMT2A (0.70) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL2252028 0.72 SMN1; SMN2 (1.00) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL15246728 0.70 MEN1 (0.59) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL16387688 0.70 MAPT (0.62) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL12779078 0.69 BACE1 (0.63) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL5291860 0.68 RAB9A (1.00) SMN1; SMN2MAPTNPC1RAB9ATP53

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-20230247997-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-08-10 — — 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-20230247997-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE ACHE, NISCH, CASP7 SMN1; SMN2 388/4885MAPT 2976/4885NPC1 424/4885

“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.

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