SCHEMBL6036299

SCHEMBL6036299

Cc1cc(I)ccc1Nc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
MAPT P10636 3/20 0.52
AKR1C3 P42330 4/20 0.49
AKR1C2 P52895 4/20 0.49
KMT2A Q03164 4/20 0.49
MPO P05164 1/20 0.49
MEN1 O00255 1/20 0.49
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C4 P17516 1/20 0.44

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
SCHEMBL5678051 0.91 MAPT (0.60) IDO1MAPTAKR1C3AKR1C2KMT2A
SCHEMBL7784767 0.89 IDO1 (0.51) IDO1MAPTAKR1C3AKR1C2KMT2A
SCHEMBL5400271 0.88 RAB9A (0.46) IDO1MAPTKMT2AALDH1A1TDP1
SCHEMBL6036445 0.85 MAP2K1 (0.53) MAPTAKR1C3AKR1C2KMT2AMPO
SCHEMBL6946092 0.83 MAPT (0.50) MAPTAKR1C3AKR1C2KMT2AMPO
SCHEMBL6947395 0.83 MAPT (0.50) MAPTAKR1C3AKR1C2KMT2AMPO
SCHEMBL5677711 0.82 RAB9A (0.55) IDO1MAPTKMT2AMEN1CTSV
SCHEMBL7897611 0.82 MAPT (0.46) IDO1MAPTKMT2AMEN1CTSV
SCHEMBL7897614 0.82 ALDH1A1 (0.49) IDO1MAPTKMT2AMEN1CTSV
SCHEMBL6944955 0.82 MAPT (0.49) MAPTAKR1C3AKR1C2KMT2AMPO

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 52 patents — showing the first 20. 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-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
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-20030149015-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BARRETT STEPHEN DOUGLAS (US) 2003-08-07 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
JP-2003504400-A 2003-02-04 JP claimed
CN-1383823-A Methods of treating or inhibiting neutrophil chemotaxis by administering MEK inhibitors WARNER LAMBERT CO (US) 2002-12-11 CN claimed
WO-2001005392-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO 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-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
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-20030149015-A1 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives BCOR, BCL6, CBR1 IDO1 1162/4885MAPT 2724/4885AKR1C3 289/4885
US-20040171632-A1 Combination chemotherapy BUB1B, BUB1, PLK1 IDO1 2696/4885MAPT 799/4885AKR1C3 3441/4885
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor MMP8, SERPINB1, CXCR2 IDO1 3084/4885MAPT 4757/4885AKR1C3 2037/4885

“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.