SCHEMBL6035201

SCHEMBL6035201

Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
CNR1 P21554 4/20 0.48
CNR2 P34972 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6035294 0.94 HPGD (0.49) ATMNPC1RAB9ACNR1CNR2
SCHEMBL6036118 0.92 NPC1 (0.52) NPC1RAB9ACNR1CNR2ALDH1A1
SCHEMBL6035305 0.87 RAB9A (0.49) NPC1RAB9ACNR1CNR2HPGD
SCHEMBL6035810 0.87 MEN1 (0.47) NPC1RAB9ACNR1CNR2TP53
SCHEMBL6036010 0.86 IDO1 (0.47) NPC1RAB9AHPGDTP53KMT2A
SCHEMBL6036004 0.83 ALDH1A1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL7787480 0.82 MAP2K1 (0.44) CNR1ALDH1A1HPGDKMT2AMEN1
SCHEMBL5389807 0.81 IDO1 (0.47) ALDH1A1KMT2AMEN1TDP1
SCHEMBL6035296 0.81 ALDH1A1 (0.48) NPC1RAB9ACNR1CNR2ALDH1A1
SCHEMBL6035987 0.81 HTT (0.44) NPC1RAB9AALDH1A1HPGDTP53

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 46 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 ATM 3410/4885NPC1 1650/4885RAB9A 2899/4885
US-20040171632-A1 Combination chemotherapy BUB1B, BUB1, PLK1 ATM 287/4885NPC1 1610/4885RAB9A 2042/4885
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor MMP8, SERPINB1, CXCR2 ATM 1540/4885NPC1 944/4885RAB9A 727/4885

“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.