SCHEMBL6945502

SCHEMBL6945502

COC(=O)CC1=C(C(=O)OC)C(c2c(Cl)cccc2Cl)C(C(=O)OC)=C(CCc2ccccc2N)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2C9 P11712 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
HPGD P15428 3/20 0.36
GAA P10253 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
OPRK1 P41145 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
SCHEMBL6949307 0.92 CYP2C9 (0.32) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL6154618 0.90 KDM4E (0.36) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL6940628 0.90 CYP2C9 (0.36) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL6153193 0.89 LMNA (0.36) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL6152441 0.87 KDM4E (0.35) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL7837790 0.86 MEN1 (0.44) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL6944144 0.86 KMT2A (0.43) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL6152458 0.85 SLC6A4 (0.35) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL6154669 0.85 MEN1 (0.36) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL7245220 0.85 TBXA2R (0.47) HSD17B10KDM4EMEN1KMT2AALDH1A1

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 HSD17B10 3938/4885KDM4E 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.