SCHEMBL5388573

SCHEMBL5388573

CONC(=O)c1cc(Cl)ccc1Nc1ccc(I)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.47
IDO1 P14902 2/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNMA1 Q12791 2/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
F10 P00742 1/20 0.39
S1PR4 O95977 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27564008 0.87 MAP2K1 (0.51) MAP2K1IDO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6035710 0.86 NUDT1 (0.48) MAP2K1IDO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5392808 0.86 IDO1 (0.47) MAP2K1IDO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5680872 0.84 ALDH1A1 (0.57) MAP2K1IDO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5677750 0.83 IDO1 (0.62) MAP2K1IDO1MEN1KMT2AKDM4E
SCHEMBL6035982 0.82 IDO1 (0.61) MAP2K1IDO1MEN1KMT2AKDM4E
SCHEMBL7623669 0.82 IDO1 (0.48) MAP2K1IDO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7887582 0.82 IDO1 (0.48) MAP2K1IDO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6035979 0.81 IDO1 (0.47) MAP2K1IDO1PTGS2ALDH1A1RAB9A
SCHEMBL6035296 0.81 ALDH1A1 (0.48) MAP2K1IDO1ALDH1A1RAB9ASMN1; SMN2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169816-B2 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US claimed
US-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY LLC 2006-03-09 US claimed
US-6972298-B2 Method of treating or inhibiting neutrophil chemotaxis by administering a MEK inhibitor WARNER-LAMBERT COMPANY (US) 2005-12-06 US claimed
EP-1140291-B1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER LAMBERT CO (US) 2005-11-23 EP claimed
EP-1140062-B1 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER LAMBERT CO (US) 2005-04-06 EP claimed
EP-0993439-B1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2004-09-29 EP claimed
US-20040171632-A1 Combination chemotherapy GOWAN RICHARD CARLETON (US) 2004-09-02 US claimed
CN-1163475-C 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors ��ʲ 2004-08-25 CN claimed
US-6696440-B1 ADMINISTERING MITOGEN ACTIVATED PROTEIN KINASE(MEK) INHIBITORS COMPRISING SECONDARY CARBOCYCLIC AMINES, AS ANTIASTHMATIC AGENTS WARNER-LAMBERT COMPANY 2004-02-24 US claimed
US-20030078428-A1 Phenylamino benzhydroxamic acid derivatives inhibit certain dual specificity kinase enzymes involved in proliferative diseases such as cancer, psoriasis and restenosis; inhibit the phosphorylation of MAP kinase by MEK BARRETT STEPHEN DOUGLAS (US) 2003-04-24 US claimed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO claimed
CN-1261877-A 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER LAMBERT CO (US) 2000-08-02 CN claimed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO claimed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO claimed
WO-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 WO claimed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed
EP-0993439-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-04-19 EP claimed
WO-1999001426-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-01-14 WO claimed
WO-1998037881-A1 METHOD OF TREATING OR PREVENTING SEPTIC SHOCK BY ADMINISTERING A MEK INHIBITOR WARNER LAMBERT COMPANY (US) 1998-09-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030078428-A1 Phenylamino benzhydroxamic acid derivatives inhibit certain dual specificity kinase enzymes involved in proliferative diseases such as cancer, psoriasis and restenosis; inhibit the phosphorylation of MAP kinase by MEK MAP2K2, MAP2K7, MAP2K1 MAP2K1 3/4885IDO1 1090/4885PTGS2 333/4885
US-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 MAP2K1 43/4885IDO1 762/4885PTGS2 694/4885
US-20040171632-A1 Combination chemotherapy BUB1B, BUB1, PLK1 MAP2K1 67/4885IDO1 2696/4885PTGS2 3266/4885

“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.