SCHEMBL14453645

SCHEMBL14453645

CC(C)(C)OC(=O)N1CCCC1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALOX5AP P20292 3/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ HPD P32754 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL31615587 0.86 DPP4 (0.45) ALDH1A1LMNAALOX5APFEN1NPSR1
SCHEMBL14431420 0.85 ALOX5AP (0.48) MAPTLMNAALOX5APFEN1CNR2
SCHEMBL31615845 0.84 ALDH1A1 (0.48) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL5166008 0.84 SCN9A (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5163789 0.84 SCN9A (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5163780 0.84 SCN9A (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4367102 0.82 ALOX5AP (0.44) MAPTALDH1A1LMNAALOX5APFEN1
SCHEMBL4367106 0.82 ALOX5AP (0.44) MAPTALDH1A1LMNAALOX5APFEN1
SCHEMBL13419614 0.81 ALOX5AP (0.47) MAPTALDH1A1LMNAALOX5APFEN1
SCHEMBL1264856 0.80 CHRNB4 (0.48) ALOX5APFEN1

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 MAPT 2288/4885CYP1A2 337/4885CYP3A4 534/4885

“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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