SCHEMBL5400271

SCHEMBL5400271

Cc1cc(I)ccc1Nc1cc([N+](=O)[O-])ccc1C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 2/20 0.46
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MAP2K1 Q02750 2/20 0.44
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
RORC P51449 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6036299 0.88 IDO1 (0.56) RAB9ANPC1TDP1IDO1HTT
SCHEMBL5391688 0.87 MAPT (0.44) RAB9ANPC1TDP1SMN1; SMN2MAPT
SCHEMBL5384280 0.86 KMT2A (0.47) RAB9ANPC1TDP1HTTSMN1; SMN2
SCHEMBL5386919 0.86 MAP2K1 (0.47) MAPTKMT2AMAP2K1RORC
SCHEMBL6950018 0.84 MAPT (0.47) RAB9ANPC1TDP1HTTSMN1; SMN2
SCHEMBL6943869 0.84 NPC1 (0.42) RAB9ANPC1TDP1HTTSMN1; SMN2
SCHEMBL6946671 0.83 NPC1 (0.42) RAB9ANPC1TDP1HTTSMN1; SMN2
SCHEMBL6948675 0.83 NPC1 (0.42) RAB9ANPC1TDP1HTTSMN1; SMN2
SCHEMBL5678051 0.81 MAPT (0.60) RAB9ANPC1TDP1IDO1MAPT
SCHEMBL5387988 0.81 MAP2K1 (0.70) RAB9ANPC1TDP1IDO1SMN1; 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 58 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
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
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor BARAGI VIJAYKUMAR M (US) 2003-03-20 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-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO claimed
WO-2000040237-A1 ANTIVIRAL METHOD USING 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 (4 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 RAB9A 2046/4885NPC1 3817/4885TDP1 1875/4885
US-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 RAB9A 1010/4885NPC1 3399/4885TDP1 1694/4885
US-20040171632-A1 Combination chemotherapy BUB1B, BUB1, PLK1 RAB9A 2042/4885NPC1 1610/4885TDP1 934/4885
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor MMP8, SERPINB1, CXCR2 RAB9A 727/4885NPC1 944/4885TDP1 4001/4885

“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.