SCHEMBL5204100

SCHEMBL5204100

COC(=O)c1cccc2[nH]c(-c3c(F)cccc3F)nc12

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.65
PKN2 Q16513 1/20 0.65
DHODH Q02127 15/20 0.60
PARP1 P09874 2/20 0.53
RIPK1 Q13546 2/20 0.52
PLA2G2A P14555 1/20 0.48
ALOX15 P16050 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL1170810 0.87 PKN1 (0.77) PKN1PKN2DHODHPARP1RIPK1
SCHEMBL7462965 0.81 DHODH (0.62) DHODHPARP1
SCHEMBL7322715 0.81 PKN1 (0.81) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL15520334 0.80 PKN1 (0.63) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL25220279 0.79 PKN1 (1.00) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL505325 0.79 PKN1 (0.77) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL2815222 0.79 PKN1 (0.77) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL5204109 0.79 KDM4E (0.43) PKN1PKN2DHODH
SCHEMBL29087633 0.79 PKN1 (0.77) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL30440938 0.79 PKN1 (1.00) PKN1PKN2DHODHPARP1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210336-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US HEALTH (US) 2007-04-25 EP disclosed
US-6894068-B2 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-17 US disclosed
US-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase MICHEJDA CHRISTOPHER J (US) 2003-10-09 US disclosed
EP-1210336-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) 2002-06-05 EP disclosed
US-6369235-B1 INHIBITORS OF HIV REVERSE TRANSCRIPTION FOR TREATMENT OF AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-09 US disclosed
WO-2001014343-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-01 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-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase SAMHD1, DUT, TYMP PKN1 2649/4885PKN2 2724/4885DHODH 145/4885

“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.