SCHEMBL14453682

SCHEMBL14453682

CC(=O)NCCc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MAPT P10636 7/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ PKM P14618 3/20 0.48
▸ HPD P32754 1/20 0.48
▸ POLB P06746 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ NQO2 P16083 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MTNR1A P48039 2/20 0.46
▸ MTNR1B P49286 2/20 0.46

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
SCHEMBL14453688 0.88 MAPK1 (0.51) THRBMAPK1MAPTMEN1KMT2A
SCHEMBL25056997 0.82 GAA (0.67) THRBMAPK1MAPTMEN1KMT2A
SCHEMBL14453582 0.82 DAO (0.47) MAPTALDH1A1HPGDLMNANQO2
SCHEMBL2977227 0.81 HPD (0.52) THRBMAPK1MAPTMEN1KMT2A
SCHEMBL14453681 0.80 CFTR (0.48) MAPTALDH1A1HPGDLMNANQO2
SCHEMBL27956781 0.79 HPD (0.48) THRBMAPK1MAPTMEN1KMT2A
SCHEMBL14453678 0.79 GAA (0.70) MAPK1MAPTMEN1KMT2APKM
SCHEMBL6478819 0.79 ALDH1A1 (0.49) MAPK1MAPTMEN1KMT2APKM
SCHEMBL11463892 0.78 HCAR3 (0.54) MAPTLMNANQO2
SCHEMBL13678600 0.78 MAPK1 (0.53) MAPK1MAPTMEN1KMT2APKM

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-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 — — 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS THRB 907/4885MAPK1 188/4885MAPT 2288/4885

“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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