SCHEMBL6716653

SCHEMBL6716653

COc1cc(C(=O)[O-])ccc1Cc1c[nH]c2ccc([N+](=O)[O-])cc12.[Na+]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP known ✓ O00591 4/20 0.48
GABRD known ✓ O14764 4/20 0.48
GABRA1 known ✓ P14867 4/20 0.48
GABRB1 known ✓ P18505 4/20 0.48
GABRG2 known ✓ P18507 4/20 0.48
GABRB3 known ✓ P28472 4/20 0.48
GABRA5 known ✓ P31644 4/20 0.48
GABRA3 known ✓ P34903 4/20 0.48
GABRA2 known ✓ P47869 4/20 0.48
GABRB2 known ✓ P47870 4/20 0.48
GABRA4 known ✓ P48169 4/20 0.48
GABRE known ✓ P78334 4/20 0.48
GABRA6 known ✓ Q16445 4/20 0.48
GABRG1 known ✓ Q8N1C3 4/20 0.48
GABRG3 known ✓ Q99928 4/20 0.48
GABRQ known ✓ Q9UN88 4/20 0.48
TUBB4A known ✓ P04350 1/20 0.46
TUBB known ✓ P07437 1/20 0.46
TUBA3C known ✓ P0DPH7 1/20 0.46
TUBA1B known ✓ P68363 1/20 0.46

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
SCHEMBL29660260 0.91 PLA2G4A (0.58) MEN1KMT2ANQO2PLA2G4ALTB4R
SCHEMBL6719869 0.91 PLA2G4A (0.58) MEN1KMT2ANQO2PLA2G4ALTB4R
SCHEMBL3676424 0.90 GPR84 (0.58) MEN1KMT2ANQO2PLA2G4ALTB4R
SCHEMBL6716658 0.90 PLA2G4A (0.58) MEN1KMT2ANQO2PLA2G4ALTB4R
SCHEMBL29251326 0.88 MEN1 (0.53) MEN1KMT2ANQO2PLA2G4ALTB4R
SCHEMBL30844114 0.88 MEN1 (0.53) MEN1KMT2ANQO2PLA2G4ALTB4R
SCHEMBL30844112 0.87 MEN1 (0.55) MEN1KMT2ANQO2PLA2G4ALTB4R
SCHEMBL29251786 0.87 MEN1 (0.55) MEN1KMT2ANQO2PLA2G4ALTB4R
SCHEMBL29251311 0.85 MEN1 (0.46) MEN1KMT2ANQO2PLA2G4ALTB4R
SCHEMBL30844117 0.85 MEN1 (0.46) MEN1KMT2ANQO2PLA2G4ALTB4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186300-A1 Process for the preparation of zafirlukast FINETECH LABORATORIES LTD. (IL) 2004-09-23 US disclosed
WO-2002046153-A2 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST FINETECH LABORATORIES LTD. (IL) 2002-06-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040186300-A1 Process for the preparation of zafirlukast LTC4S, LTB4R, CMA1 GABRP 502/4885GABRD 723/4885GABRA1 145/4885

“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.