SCHEMBL2851298

SCHEMBL2851298

NC(=O)c1cc(-c2cccc(Br)c2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.54
TP53 P04637 2/20 0.51
ACR P10323 1/20 0.51
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
HSP90AA1 P07900 2/20 0.47
ALOX15 P16050 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CHEK1 O14757 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
PDGFRA P16234 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL647118 0.86 TP53 (0.71) TP53SMN1; SMN2CHEK1RETPDGFRB
SCHEMBL18726258 0.83 ACR (0.57) TP53ACRMAPTNPC1RAB9A
SCHEMBL2789578 0.82 TP53 (0.74) SCN9ATP53ACRMAPTCHEK1
SCHEMBL29444426 0.82 SCN9A (0.57) SCN9ATP53ACRMAPTRAB9A
SCHEMBL18726283 0.82 SCN9A (0.54) SCN9ATP53ACRMAPTSMN1; SMN2
SCHEMBL18726294 0.82 SCN9A (0.57) SCN9ATP53MAPTMEN1HPGD
SCHEMBL644698 0.81 GAA (0.72) TP53MAPTNPC1RAB9ALMNA
SCHEMBL13710596 0.79 SCN9A (0.55) SCN9ATP53MAPTSMN1; SMN2CHEK1
SCHEMBL13710565 0.79 SCN9A (0.68) SCN9ATP53ACRMAPTSMN1; SMN2
SCHEMBL28503934 0.78 MAPT (0.44) SCN9ATP53ACRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057646-B Pyrazole derivative and application thereof in preparation of antitumor drugs 常州大学 2023-05-02 CN disclosed
CN-114057646-A Pyrazole derivative and application thereof in preparation of antitumor drugs 常州大学 2022-02-18 CN disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 SCN9A 737/4885TP53 4764/4885ACR 4782/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 SCN9A 605/4885TP53 4661/4885ACR 4810/4885

“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.