SCHEMBL4862035

SCHEMBL4862035

O=C(NOCC(O)COc1ccccc1)c1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.45
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
MAP2K2 P36507 2/20 0.41
MAP2K1 Q02750 2/20 0.41
BRAF P15056 1/20 0.41
MAP2K5 Q13163 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
CYP2D6 P10635 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL4861283 0.85 MAPK1 (0.47) KAT6AMAPK1KMT2AMAP2K2MAP2K1
SCHEMBL6295970 0.84 MAPK1 (0.47) KAT6AMAPK1MAP2K2MAP2K1BRAF
SCHEMBL4861675 0.81 MAPT (0.44) MAPK1CYP1A2MEN1KMT2AMAPT
SCHEMBL6291256 0.80 CES2 (0.45) KAT6AMAPK1MAP2K2MAP2K1BRAF
SCHEMBL6291619 0.80 MAPT (0.51) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL4851679 0.79 CES2 (0.44) KAT6AMAPK1MAP2K2MAP2K1BRAF
SCHEMBL6291652 0.77 MAPK1 (0.76) MAPK1MAP2K2MAP2K1BRAFMAP2K5
SCHEMBL6292119 0.76 MAP2K1 (0.64) MAPK1MAP2K2MAP2K1BRAFMAP2K5
SCHEMBL4861834 0.75 MAP2K1 (0.78) MAPK1MAP2K2MAP2K1BRAFMAP2K5
SCHEMBL4862103 0.74 MAP2K1 (0.58) MAPK1MAP2K2MAP2K1BRAFMAP2K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 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 KAT6A 2824/4885MAPK1 4734/4885CYP1A2 12/4885

“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.