SCHEMBL6948274

SCHEMBL6948274

COC(=O)CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2ccccc2[N+](=O)[O-])N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
PTPN1 P18031 1/20 0.37
MAPT P10636 3/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
CTSD P07339 1/20 0.36
ABCC4 O15439 1/20 0.36

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
SCHEMBL6948275 1.00 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP3A4CYP2D6
SCHEMBL6944144 0.93 KMT2A (0.43) SMN1; SMN2NPC1RAB9ACYP3A4CYP2D6
SCHEMBL6949307 0.86 CYP2C9 (0.32) SMN1; SMN2NPC1RAB9ACYP3A4CYP2D6
SCHEMBL6153461 0.86 CYP4F2 (0.34) SMN1; SMN2NPC1RAB9ACYP3A4CYP2C19
SCHEMBL6946876 0.86 TTR (0.35) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL7843083 0.85 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6153189 0.85 CYP2C9 (0.32) SMN1; SMN2NPC1RAB9ACYP3A4CYP2D6
SCHEMBL7836265 0.84 SLC7A5 (0.39) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6152821 0.84 KMT2A (0.31) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL6153144 0.83 PPARG (0.35) ALDH1A1KMT2AMEN1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 SMN1; SMN2 4324/4885NPC1 871/4885RAB9A 2755/4885

“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.