SCHEMBL20501048

SCHEMBL20501048

Nc1ncc(-c2ccc(NC(=O)Nc3ccc(-c4cnc(N)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.64
SCN3A Q9NY46 3/20 0.60
MASP2 O00187 1/20 0.54
LTA4H P09960 1/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
AOC3 Q16853 1/20 0.46
KDR P35968 5/20 0.44
ROCK2 O75116 1/20 0.43
SCN4A P35499 1/20 0.43
HPSE Q9Y251 3/20 0.43
CYP3A4 P08684 1/20 0.41
PDGFRB P09619 1/20 0.40

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
SCHEMBL20501157 0.89 SCN9A (0.57) SCN9ASCN3AMASP2KDRSCN4A
SCHEMBL28364786 0.89 SCN9A (0.62) SCN9ASCN3AMASP2LTA4HMAPT
SCHEMBL20169736 0.88 SCN9A (0.61) SCN9ASCN3AMASP2LTA4HMAPT
SCHEMBL13655206 0.83 SCN3A (0.69) SCN9ASCN3AMASP2MAPTRAB9A
SCHEMBL20501030 0.82 SCN9A (0.61) SCN9ASCN3AMASP2MAPTKDR
SCHEMBL20501076 0.82 SCN9A (0.61) SCN9ASCN3AMASP2MAPTRAB9A
SCHEMBL24176844 0.81 SCN9A (0.47) SCN9ASCN3AMASP2MAPTAOC3
SCHEMBL13663135 0.81 SCN3A (0.69) SCN9ASCN3AMASP2RAB9AKDR
SCHEMBL23812448 0.81 SCN9A (0.63) SCN9ASCN3AMASP2LTA4HMAPT
SCHEMBL13655245 0.81 SCN9A (0.54) SCN9ASCN3AMASP2LTA4HMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11582970-B2 2-aminoimidazole-phenyl derivatives useful for controlling microbial growth NORTH CAROLINA STATE UNIVERSITY (US) 2023-02-21 US disclosed
US-20220000118-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-06 US disclosed
WO-2018169752-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH NORTH CAROLINA STATE UNIVERSITY (US) 2018-09-20 WO 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-11582970-B2 2-aminoimidazole-phenyl derivatives useful for controlling microbial growth DDC, IL4I1, ING2 SCN9A 4811/4885SCN3A 4795/4885MASP2 1274/4885
US-20220000118-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH DDC, IL4I1, ING2 SCN9A 4811/4885SCN3A 4795/4885MASP2 1274/4885

“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.