SCHEMBL15782877

SCHEMBL15782877

CCc1cc2ccncc2c(O)c1C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
HASPIN Q8TF76 1/20 0.38
KDM5A P29375 7/20 0.38
KDM5B Q9UGL1 1/20 0.38
HIPK2 Q9H2X6 3/20 0.38
PRKCI P41743 1/20 0.36
MAOA P21397 2/20 0.35
MAPK10 P53779 2/20 0.33
CA12 O43570 1/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL19841039 0.88 PRKCI (0.38) KDM4EHTTHASPINKDM5AKDM5B
SCHEMBL15782860 0.78 CA12 (0.44) KDM4EHTTPRKCICA12POLB
SCHEMBL15782872 0.73 PRKCI (0.33) PRKCI
SCHEMBL15782875 0.69 CYP3A4 (0.44) KDM4EHTT
SCHEMBL25065370 0.68 DAO (0.44) KDM4EHASPIN
SCHEMBL19170648 0.68 MAOA (0.40) KDM4EHTTHASPINHIPK2MAOA
SCHEMBL19725753 0.68 HASPIN (0.44) HASPIN
SCHEMBL9867109 0.68 DHODH (0.45) KDM4EKDM5AKDM5BHIPK2
SCHEMBL17193018 0.67 ADORA3 (0.44) KDM4EHTTHIPK2MAOAMAPK10
SCHEMBL15782870 0.67 PRKCI (0.37) KDM4EPRKCICA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 US 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 (2 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC KDM4E 800/4885HTT 94/4885HASPIN 513/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC KDM4E 800/4885HTT 94/4885HASPIN 513/4885

“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.