SCHEMBL6035669

SCHEMBL6035669

C=CCNC(=O)c1cc(Cl)ccc1Nc1ccc(I)cc1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
IDO1 P14902 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP2K1 Q02750 1/20 0.39
F10 P00742 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 0.92 ALDH1A1 (0.50) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL6035446 0.86 ALDH1A1 (0.46) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL6035265 0.86 TP53 (0.46) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL5676551 0.84 HPGD (0.55) HPGDPOLBL3MBTL1RAB9ALMNA
SCHEMBL6035371 0.84 IDO1 (0.46) HPGDRAB9ALMNAIDO1NPC1
SCHEMBL7800395 0.84 HPGD (0.40) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL6036049 0.83 MAPT (0.43) HPGDCYP3A4POLBALDH1A1TP53
SCHEMBL6036036 0.82 CDK1 (0.55) HPGDPOLBTP53L3MBTL1RAB9A
SCHEMBL5392808 0.82 IDO1 (0.47) HPGDALDH1A1RAB9AIDO1NPC1
SCHEMBL6035710 0.82 NUDT1 (0.48) HPGDALDH1A1RAB9AIDO1MAPT

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
EP-1262176-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor WARNER-LAMBERT COMPANY (US) 2002-12-04 EP 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 HPGD 2790/4885CYP1A2 796/4885CYP3A4 807/4885
US-20040171632-A1 Combination chemotherapy BUB1B, BUB1, PLK1 HPGD 2596/4885CYP1A2 2492/4885CYP3A4 3168/4885
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor MMP8, SERPINB1, CXCR2 HPGD 708/4885CYP1A2 3397/4885CYP3A4 4293/4885

“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.