SCHEMBL4748540

SCHEMBL4748540

O=C(O)c1ccc(F)c(F)c1Nc1ccc(Cl)cc1F

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.72
MAP2K2 P36507 7/20 0.72
GRIK1 P39086 1/20 0.47
NUDT1 P36639 2/20 0.46
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL4862994 0.87 MAP2K1 (0.74) MAP2K1MAP2K2
SCHEMBL1488379 0.84 MAP2K1 (0.71) MAP2K1MAP2K2SMN1; SMN2
SCHEMBL30505247 0.84 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL188505 0.84 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL29413559 0.84 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL5991001 0.84 MAP2K1 (0.71) MAP2K1MAP2K2KMT2A
Hydrochloric Acid SCHEMBL30080174 0.83 MAP2K1 (0.97) MAP2K1MAP2K2
SCHEMBL4857107 0.81 MAP2K1 (0.58) MAP2K1MAP2K2NUDT1
SCHEMBL5991936 0.81 MAP2K1 (0.66) MAP2K1MAP2K2
SCHEMBL5991509 0.81 MAP2K1 (0.66) MAP2K1MAP2K2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
WO-2008132464-A2 MEK5 AND RELATED PROTEINS AS BIOMARKERS OF NEURODEGENERATIVE DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2008-11-06 WO disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 MAP2K1 4341/4885MAP2K2 4268/4885GRIK1 3819/4885

“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.