SCHEMBL5203713

SCHEMBL5203713

CC(=O)OCc1cccc2nc(-c3c(F)cccc3F)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ADORA2B P29275 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
PTGES O14684 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.35
JAK2 O60674 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
SCHEMBL5202985 0.82 ADORA2B (0.49) KDM4EADORA2BL3MBTL1KMT2AMEN1
SCHEMBL5203705 0.81 DHODH (0.47) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL5204109 0.73 KDM4E (0.43) KDM4EADORA2BL3MBTL1KMT2AMEN1
SCHEMBL7465091 0.71 DHODH (0.41) KDM4EHSD17B10MMP1MMP2MMP9
SCHEMBL3539421 0.71 ADORA2B (0.43) KDM4EHSD17B10ADORA2BL3MBTL1KMT2A
SCHEMBL3827328 0.71 ALDH1A1 (0.47) KDM4EHSD17B10L3MBTL1KMT2AMEN1
SCHEMBL5202015 0.71 RPS6KA2 (0.45) ADORA2BPTGESNPC1RAB9ALMNA
SCHEMBL3231685 0.70 ALDH1A1 (0.59) KDM4EL3MBTL1KMT2AMEN1TDP1
SCHEMBL14181683 0.67 MMP1 (0.43) KDM4EHSD17B10L3MBTL1KMT2AMEN1
SCHEMBL27481676 0.66 ALDH1A1 (0.42) KDM4EHSD17B10L3MBTL1KMT2AMEN1

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 KDM4E 291/4885HSD17B10 1601/4885ADORA2B 2131/4885

“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.