SCHEMBL6036129

SCHEMBL6036129

Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCCN1CCN(CCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.46
HTR2A P28223 6/20 0.46
HTR2C P28335 6/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
MAP2K2 P36507 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 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
SCHEMBL6035652 0.91 HTR4 (0.46) SLC6A4HTR2AHTR2CMEN1ALDH1A1
SCHEMBL6035990 0.89 MAP2K1 (0.48) SLC6A4HTR2AHTR2CMAP2K2MAP2K1
SCHEMBL6036070 0.89 LMNA (0.47) SLC6A4HTR2AHTR2CLMNAMAP2K2
SCHEMBL6036120 0.89 KMT2A (0.49) SLC6A4HTR2AHTR2CMAPTLMNA
SCHEMBL6036036 0.87 CDK1 (0.55) MAP2K2MAP2K1MEN1KMT2A
SCHEMBL6035188 0.86 ALDH1A1 (0.50) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6035976 0.85 CYP1A2 (0.51) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6035353 0.85 MAP2K1 (0.50) SLC6A4HTR2AHTR2CMAP2K2MAP2K1
SCHEMBL5676551 0.85 HPGD (0.55) LMNAMAP2K2MAP2K1
SCHEMBL6035285 0.84 CYP2C19 (0.61) LMNAMEN1ALDH1A1CYP1A2CYP3A4

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 37 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
EP-1262176-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor WARNER-LAMBERT COMPANY (US) 2002-12-04 EP claimed
JP-2002532415-A 2002-10-02 JP claimed
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
US-6251943-B1 2-(2-AMINO-3-METHOXYPHENYL)4-OXO-4H-(1)BENZOPYRAN A MEK INHIBITOR FOR THE TREATMENT OR PREVENTION OF SEPTIC SHOCK WARNER-LAMBERT COMPANY 2001-06-26 US claimed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 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

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 SLC6A4 4725/4885HTR2A 4162/4885HTR2C 3512/4885
US-20040171632-A1 Combination chemotherapy BUB1B, BUB1, PLK1 SLC6A4 4019/4885HTR2A 4167/4885HTR2C 3846/4885
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor MMP8, SERPINB1, CXCR2 SLC6A4 4072/4885HTR2A 4724/4885HTR2C 4737/4885

“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.