SCHEMBL4860619

SCHEMBL4860619

Cc1cc(I)ccc1Nc1cc(F)c(Br)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.60
MAP2K1 Q02750 14/20 0.49
MAP2K2 P36507 8/20 0.49
KCNK2 O95069 1/20 0.45
KCNK10 P57789 1/20 0.45
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRA P18433 1/20 0.43
PTPRB P23467 1/20 0.43
PTPRE P23469 1/20 0.43
PTPN6 P29350 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4861357 0.89 IDO1 (0.66) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL4860798 0.88 MAP2K1 (0.60) IDO1MAP2K1MAP2K2KCNK2KCNK10
SCHEMBL30294688 0.87 IDO1 (0.44) IDO1KCNK2KCNK10MEN1KMT2A
SCHEMBL22852820 0.87 IDO1 (0.44) IDO1KCNK2KCNK10MEN1KMT2A
SCHEMBL4858661 0.83 MEN1 (0.43) IDO1MAP2K1MAP2K2MEN1KMT2A
SCHEMBL5678007 0.82 IDO1 (0.70) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL5676416 0.81 IDO1 (0.62) IDO1MAP2K1MAP2K2KCNK2PTPRC
SCHEMBL5677728 0.81 IDO1 (0.62) IDO1MAP2K1MAP2K2KCNK2KCNK10
SCHEMBL2387610 0.81 MAP2K1 (0.53) IDO1MAP2K1MAP2K2MEN1KMT2A
SCHEMBL6035697 0.81 IDO1 (0.56) IDO1MAP2K1MAP2K2PTPRCPTPN2

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 7 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
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 IDO1 426/4885MAP2K1 4341/4885MAP2K2 4268/4885

“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.