SCHEMBL6716658

SCHEMBL6716658

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.58
LTB4R Q15722 1/20 0.58
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NQO2 P16083 1/20 0.50
TTR P02766 1/20 0.49
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46
GABRE P78334 3/20 0.46
GABRA6 Q16445 3/20 0.46
GABRG1 Q8N1C3 3/20 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
SCHEMBL6719869 0.99 PLA2G4A (0.58) PLA2G4ALTB4RMEN1KMT2ANQO2
SCHEMBL29660260 0.99 PLA2G4A (0.58) PLA2G4ALTB4RMEN1KMT2ANQO2
SCHEMBL10921361 0.91 PLA2G4A (0.56) PLA2G4ALTB4RMEN1KMT2ANQO2
SCHEMBL6716653 0.90 MEN1 (0.50) PLA2G4ALTB4RMEN1KMT2ANQO2
SCHEMBL3676424 0.90 GPR84 (0.58) PLA2G4ALTB4RMEN1KMT2ANQO2
SCHEMBL29251326 0.88 MEN1 (0.53) PLA2G4ALTB4RMEN1KMT2ANQO2
SCHEMBL30844114 0.88 MEN1 (0.53) PLA2G4ALTB4RMEN1KMT2ANQO2
SCHEMBL30844112 0.87 MEN1 (0.55) PLA2G4ALTB4RMEN1KMT2ANQO2
SCHEMBL29251786 0.87 MEN1 (0.55) PLA2G4ALTB4RMEN1KMT2ANQO2
SCHEMBL29251322 0.85 MEN1 (0.50) PLA2G4ALTB4RMEN1KMT2ANQO2

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 PLA2G4A 466/4885LTB4R 2/4885MEN1 4263/4885

“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.