SCHEMBL27044907

SCHEMBL27044907

Cc1cc(=O)n(-c2cc(F)c([N+](=O)[O-])cc2F)c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.39
ALDH1A1 P00352 8/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 4/20 0.38
ESPL1 Q14674 1/20 0.38
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35

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
SCHEMBL10579883 0.86 MAPT (0.34) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL29174352 0.82 MAPT (0.36) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7038526 0.78 ESPL1 (0.35) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22467860 0.76 MAPT (0.35) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL27044908 0.76 SMN1; SMN2 (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7994197 0.75 MAPT (0.38) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6103578 0.74 USP14 (0.38) ALDH1A1KDM4E
SCHEMBL13397511 0.73 MAPT (0.37) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL30921032 0.73 MAPT (0.34) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10575657 0.71 TP53 (0.33) MAPT

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-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 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-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM MAPT 2308/4885ALDH1A1 103/4885CYP1A2 226/4885

“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.