SCHEMBL2388912

SCHEMBL2388912

COc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA7 P43166 1/20 0.58
▸ CA13 Q8N1Q1 1/20 0.58
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ PABPC1 P11940 4/20 0.53
▸ POLB P06746 2/20 0.47
▸ PIK3CG P48736 3/20 0.43
▸ PIP4K2A P48426 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PRMT1 Q99873 3/20 0.43
▸ USP2 O75604 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 2/20 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
SCHEMBL1292932 0.84 CA1 (0.65) CA1CA2CA7CA13MEN1
SCHEMBL6214605 0.81 MEN1 (0.53) MEN1KMT2APABPC1POLBPIK3CG
SCHEMBL6345655 0.78 PIK3CA (0.50) MEN1KMT2APABPC1POLBPIK3CG
SCHEMBL30815002 0.78 CA1 (0.61) CA1CA2CA7CA13MEN1
SCHEMBL27226284 0.78 CA1 (0.61) CA1CA2CA7CA13MEN1
Hydrochloric Acid SCHEMBL6216241 0.77 PIK3CA (0.49) MEN1KMT2APABPC1POLBPIK3CG
SCHEMBL13600169 0.77 CA1 (0.44) CA1CA2CA7CA13PRMT1
SCHEMBL4927860 0.76 CA1 (0.69) CA1CA2CA7CA13PRMT1
SCHEMBL1254095 0.76 CA1 (0.77) CA1CA2CA7CA13PIP4K2A
SCHEMBL1244815 0.76 CA1 (0.65) CA1CA2CA7CA13KMT2A

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-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-09-22 — — 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-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA6, CHRNA7 CA1 4819/4885CA2 3790/4885CA7 3757/4885

“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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