SCHEMBL5201109

SCHEMBL5201109

C=C(C)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
KCNK13 Q9HB14 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
GAA P10253 1/20 0.32
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
CD38 P28907 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE2A O00408 2/20 0.31
PDE10A Q9Y233 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL5204220 0.84 DHODH (0.43) MAPTTP53PPARGPTGDR2CDK1
SCHEMBL5202059 0.83 EED (0.40) MAPTTP53ALDH1A1PPARGPTGDR2
SCHEMBL5203566 0.83 PKN1 (0.46) KCNK13PKN1PKN2CDK1CDK4
SCHEMBL5205486 0.83 KCNK13 (0.36) MAPTTP53KCNK13ALDH1A1MAPK1
SCHEMBL5206750 0.82 PKN1 (0.41) MAPTALDH1A1PKN1PKN2GAA
SCHEMBL5203544 0.82 TLR8 (0.41) MAPTTP53KCNK13ALDH1A1MAPK1
SCHEMBL5201022 0.81 TLR8 (0.39) MAPTTP53KCNK13ALDH1A1MAPK1
SCHEMBL5202503 0.80 GNRHR (0.35) ALDH1A1PPARGPTGDR2PKN1PKN2
SCHEMBL5204113 0.79 TLR8 (0.43) MAPTTP53KCNK13ALDH1A1MAPK1
SCHEMBL5200966 0.79 MAPT (0.40) MAPTTP53KCNK13ALDH1A1MAPK1

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 7 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-0963371-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US GOV HEALTH & HUMAN SERV (US) 2003-05-02 EP 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 MAPT 2190/4885TP53 3145/4885KCNK13 4531/4885

“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.