SCHEMBL6035697

SCHEMBL6035697

Cc1cc(I)ccc1Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
AKR1C2 P52895 4/20 0.46
AKR1C1 Q04828 1/20 0.46
MAP2K1 Q02750 7/20 0.46
MAP2K2 P36507 2/20 0.46
AKR1C3 P42330 3/20 0.44
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL5398735 0.89 IDO1 (0.43) IDO1AKR1C2AKR1C1MAP2K1MAP2K2
SCHEMBL4861357 0.85 IDO1 (0.66) IDO1MAP2K1MAP2K2MEN1KMT2A
SCHEMBL14590721 0.83 MAP2K1 (0.49) IDO1AKR1C2MAP2K1MAP2K2AKR1C3
SCHEMBL14590725 0.82 MAP2K1 (0.48) IDO1AKR1C2AKR1C1MAP2K1MAP2K2
SCHEMBL4860619 0.81 IDO1 (0.60) IDO1MAP2K1MAP2K2MEN1KMT2A
SCHEMBL5678051 0.81 MAPT (0.60) IDO1AKR1C2AKR1C1AKR1C3CTSV
SCHEMBL14590718 0.80 MAP2K1 (0.46) IDO1AKR1C2MAP2K1MAP2K2AKR1C3
SCHEMBL6036299 0.80 IDO1 (0.56) IDO1AKR1C2AKR1C1AKR1C3CTSV
SCHEMBL5678007 0.78 IDO1 (0.70) IDO1AKR1C2AKR1C1MAP2K1MAP2K2
SCHEMBL5676416 0.77 IDO1 (0.62) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993437-B1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2006-11-08 EP claimed
US-20030149015-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BARRETT STEPHEN DOUGLAS (US) 2003-08-07 US claimed
JP-2003504400-A 2003-02-04 JP claimed
US-6492363-B2 FOR THERAPY OF CANCER AND OTHER PROLIFERATIVE DISEASES SUCH AS INFLAMMATION, PSORIASIS AND RESTENOSIS, AS WELL AS STROKE, HEART FAILURE, AND IMMUNODEFICIENCY DISORDERS WARNER-LAMBERT COMPANY 2002-12-10 US claimed
CN-1373660-A Method for treating chronic pain using MEK inhibitors WARNER LAMBERT CO (US) 2002-10-09 CN claimed
EP-1202726-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP claimed
US-20020022647-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BARRETT STEPHEN DOUGLAS (US) 2002-02-21 US claimed
WO-2001005392-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
EP-0993437-A1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-04-19 EP claimed
WO-1999001421-A1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-01-14 WO claimed
EP-0993437-B1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2006-11-08 EP 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 (2 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-20030149015-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BCOR, BCL6, CBR1 IDO1 1162/4885AKR1C2 314/4885AKR1C1 350/4885
US-20020022647-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BCOR, BCL6, CBR1 IDO1 1162/4885AKR1C2 314/4885AKR1C1 350/4885

“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.