SCHEMBL6316359

SCHEMBL6316359

COC(=O)c1cc(CNCC2CCN(C(=O)OC(C)(C)C)CC2)cc(-c2cccc(/C(N)=N\O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
TGFBR1 P36897 14/20 0.41
USP30 Q70CQ3 1/20 0.41
ST14 Q9Y5Y6 1/20 0.40
YAP1 P46937 2/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL6316361 1.00 KDM4E (0.47) KDM4EPKMTGFBR1USP30ST14
SCHEMBL6318034 0.85 KDM4E (0.46) KDM4EPKMTGFBR1YAP1
SCHEMBL6326438 0.83 CHRM3 (0.41) ST14KDM1A
SCHEMBL6326432 0.83 CHRM3 (0.41) ST14KDM1A
SCHEMBL6130337 0.79 F10 (0.51) ST14
SCHEMBL14744625 0.77 KDM4E (0.52) KDM4EPKMTGFBR1USP30YAP1
SCHEMBL6831986 0.77 KDM4E (0.48) KDM4EPKMTGFBR1USP30YAP1
SCHEMBL17982809 0.74 KDM4E (0.56) KDM4EPKMTGFBR1YAP1
SCHEMBL7038825 0.73 NOTCH1 (0.44) KDM4EPKMTGFBR1YAP1
SCHEMBL1532753 0.73 KDM4E (0.55) KDM4EPKMTGFBR1YAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101675-A1 Benzamidine derivatives and process for production thereof TEIJIN LIMITED (JP) 2005-05-12 US disclosed
EP-1357108-A1 BENZAMIDINE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF TEIJIN LIMITED (JP) 2003-10-29 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-20050101675-A1 Benzamidine derivatives and process for production thereof AOC2, TALDO1, AOC1 KDM4E 3010/4885PKM 329/4885TGFBR1 3769/4885

“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.