SCHEMBL4640429

SCHEMBL4640429

COc1cc(/C=C/C=C/C(=O)NCCNC(=O)/C=C/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.64
HTR2C P28335 3/20 0.64
HTR2A P28223 1/20 0.64
SLC6A4 P31645 1/20 0.64
HTR7 P34969 1/20 0.64
HTR6 P50406 1/20 0.64
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.60
PKM P14618 1/20 0.60
ABCB1 P08183 1/20 0.58
HPGD P15428 4/20 0.57
PSMB11 A5LHX3 1/20 0.57
PSMA7 O14818 1/20 0.57
PSMB1 P20618 1/20 0.57
PSMA1 P25786 1/20 0.57
PSMA2 P25787 1/20 0.57
PSMA3 P25788 1/20 0.57
PSMA4 P25789 1/20 0.57
PSMB8 P28062 1/20 0.57
PSMB9 P28065 1/20 0.57

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
SCHEMBL14098924 0.91 HTR1A (0.56) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL10532933 0.91 HTR1A (0.65) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL10532931 0.91 HTR1A (0.65) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL10531022 0.90 HTR1A (0.67) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL4641656 0.88 HTR1A (0.61) HTR1AHTR2CHTR2ASLC6A4HTR7
Nitric Acid SCHEMBL10626202 0.87 HTR1A (0.54) HTR1AHTR2CHTR2ASLC6A4HTR7
Nitric Acid SCHEMBL10626193 0.87 HTR1A (0.54) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL4641556 0.87 KDM4E (0.62) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL4641476 0.86 KDM4E (0.64) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL10626201 0.86 HTR1A (0.53) HTR1AHTR2CHTR2ASLC6A4HTR7

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-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 EP 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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 HTR1A 1892/4885HTR2C 1486/4885HTR2A 2268/4885

“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.