SCHEMBL14453678

SCHEMBL14453678

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

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.70
▸ MAPT P10636 11/20 0.67
▸ POLB P06746 3/20 0.67
▸ LMNA P02545 5/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ PKM P14618 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL14453586 0.83 GAA (0.50) GAAMAPTPOLBL3MBTL1
SCHEMBL14453680 0.80 GAA (0.47) GAAMAPTPOLBKMT2AMEN1
SCHEMBL14453682 0.79 THRB (0.50) GAAMAPTPOLBLMNAKMT2A
SCHEMBL13678600 0.78 MAPK1 (0.53) GAAMAPTPOLBLMNAKMT2A
SCHEMBL28876849 0.77 ALDH1A1 (0.50) GAAMAPTPOLBLMNAKMT2A
SCHEMBL27534191 0.76 MAPK1 (0.53) GAAMAPTPOLBLMNAKMT2A
SCHEMBL27801673 0.76 ALDH1A1 (0.49) GAAMAPTPOLBLMNAKMT2A
SCHEMBL14453679 0.76 ALDH1A1 (0.49) GAAMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6478819 0.76 ALDH1A1 (0.49) GAAMAPTPOLBLMNAKMT2A
SCHEMBL8003279 0.76 ALDH1A1 (0.49) GAAMAPTPOLBLMNAKMT2A

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 GAA 1401/4885MAPT 2288/4885POLB 919/4885

“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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