SCHEMBL6036049

SCHEMBL6036049

C=CCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 5/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RORC P51449 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 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
SCHEMBL6035753 0.88 ALDH1A1 (0.50) MAPTALDH1A1TP53L3MBTL1RAB9A
SCHEMBL6036200 0.85 KMT2A (0.48) MAPTALDH1A1RAB9ANPC1TDP1
SCHEMBL7784776 0.83 CA2 (0.43) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL6035694 0.83 MAP2K1 (0.47) MAPTALDH1A1RAB9ANPC1TDP1
SCHEMBL6036426 0.83 MAPT (0.41) MAPTALDH1A1RAB9ANPC1TDP1
SCHEMBL6035733 0.83 KMT2A (0.42) MAPTALDH1A1RAB9ANPC1TDP1
SCHEMBL6035446 0.83 ALDH1A1 (0.46) MAPTALDH1A1TP53L3MBTL1TDP1
SCHEMBL6035265 0.83 TP53 (0.46) MAPTALDH1A1TP53L3MBTL1RAB9A
SCHEMBL6035669 0.83 HPGD (0.56) MAPTALDH1A1TP53L3MBTL1RAB9A
SCHEMBL7743790 0.82 TBXA2R (0.48) MAPTALDH1A1RAB9ANPC1TDP1

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 59 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
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
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 MAPT 2724/4885ALDH1A1 1267/4885TP53 1314/4885
US-20040171632-A1 Combination chemotherapy BUB1B, BUB1, PLK1 MAPT 799/4885ALDH1A1 2712/4885TP53 51/4885
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor MMP8, SERPINB1, CXCR2 MAPT 4757/4885ALDH1A1 2478/4885TP53 4276/4885

“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.