SCHEMBL6153193

SCHEMBL6153193

COC(=O)CC1=C(C(=O)OC)C(c2c(Cl)cccc2Cl)C(C(=O)OC)=C(CCc2ccccc2I)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 4/20 0.36
CYP2C9 P11712 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TBXA2R P21731 3/20 0.36
ADRA1A P35348 3/20 0.36
SLC6A3 Q01959 3/20 0.36
ABCB11 O95342 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
ABCB1 P08183 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADRB3 P13945 2/20 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
SCHEMBL6153189 0.92 CYP2C9 (0.32) LMNASMN1; SMN2KDM4ECYP2C9HSD17B10
SCHEMBL6940628 0.89 CYP2C9 (0.36) LMNASMN1; SMN2KDM4ECYP2C9HSD17B10
SCHEMBL6945502 0.89 HSD17B10 (0.36) LMNASMN1; SMN2KDM4ECYP2C9HSD17B10
SCHEMBL6154618 0.89 KDM4E (0.36) LMNASMN1; SMN2KDM4ECYP2C9HSD17B10
SCHEMBL6152441 0.86 KDM4E (0.35) LMNASMN1; SMN2KDM4ECYP2C9HSD17B10
SCHEMBL7245220 0.86 TBXA2R (0.47) LMNASMN1; SMN2KDM4ECYP2C9HSD17B10
SCHEMBL7837790 0.85 MEN1 (0.44) LMNAKDM4ECYP2C9HSD17B10TBXA2R
SCHEMBL6944144 0.85 KMT2A (0.43) LMNASMN1; SMN2KDM4ECYP2C9HSD17B10
SCHEMBL6154669 0.85 MEN1 (0.36) LMNASMN1; SMN2KDM4ECYP2C9HSD17B10
SCHEMBL6152458 0.85 SLC6A4 (0.35) LMNASMN1; SMN2KDM4ECYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
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 LMNA 3127/4885SMN1; SMN2 4324/4885KDM4E 1330/4885

“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.