SCHEMBL6944144

SCHEMBL6944144

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
ABCC4 O15439 2/20 0.43
CACNA1F O60840 2/20 0.43
ABCB11 O95342 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
OPRM1 P35372 2/20 0.43
SCN1A P35498 2/20 0.43

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 0.93 SMN1; SMN2 (0.42) KMT2AKDM4EMEN1HTTMAPT
SCHEMBL6948274 0.93 SMN1; SMN2 (0.42) KMT2AKDM4EMEN1HTTMAPT
SCHEMBL6154618 0.86 KDM4E (0.36) KMT2AKDM4EMEN1HTTMAPT
SCHEMBL6945502 0.86 HSD17B10 (0.36) KMT2AKDM4EMEN1HTTMAPT
SCHEMBL6940628 0.86 CYP2C9 (0.36) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL6153193 0.85 LMNA (0.36) KMT2AKDM4EMEN1HTTMAPT
SCHEMBL6152441 0.84 KDM4E (0.35) KMT2AKDM4EMEN1HTTMAPT
SCHEMBL7837790 0.83 MEN1 (0.44) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL6152458 0.82 SLC6A4 (0.35) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL6154669 0.82 MEN1 (0.36) KMT2AKDM4EMEN1MAPTALDH1A1

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 KMT2A 1890/4885KDM4E 1330/4885MEN1 2435/4885

“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.