SCHEMBL5477336

SCHEMBL5477336

CC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(N)=C(C(=O)O)C1c1ccc(Br)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.78
▸ CYP3A4 P08684 4/20 0.54
▸ CYP2C9 P11712 4/20 0.54
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPN P05981 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL5477332 1.00 ELANE (0.78) ELANECYP3A4CYP2C9MEN1KMT2A
SCHEMBL5755928 0.88 ELANE (1.00) ELANECYP3A4CYP2C9MEN1KMT2A
SCHEMBL5479466 0.81 ELANE (0.78) ELANECYP3A4CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL5755929 0.74 ELANE (0.55) ELANECYP3A4CYP2C9MEN1KMT2A
SCHEMBL14041067 0.69 ELANE (0.71) ELANECYP3A4CYP2C9MEN1KMT2A
SCHEMBL8344218 0.69 MAPT (0.69) ELANECYP3A4CYP2C9L3MBTL1SMN1; SMN2
SCHEMBL10656803 0.67 CACNA1F (0.53) CYP3A4CYP2C9MEN1KMT2AMAPT
SCHEMBL9496402 0.67 HPN (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8883552 0.66 CACNA1F (0.65) CYP3A4CYP2C9MEN1KMT2AL3MBTL1
SCHEMBL30296731 0.66 CACNA1F (0.65) CYP3A4CYP2C9MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199136-B2 1,4-dihydro-1,4-diphenylpyridine derivatives BAYER HEALTHCARE AG (DE) 2007-04-03 — — US disclosed
EP-1458682-B1 1,4-DIHYDRO-1,4-DIPHENYLPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2006-08-30 — — EP disclosed
US-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases BAYER HEALTHCARE AG 2005-07-28 — — US 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-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases SERPINB1, ELANE, MPO ELANE 2/4885CYP3A4 1315/4885CYP2C9 3202/4885

“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.

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