SCHEMBL5201901

SCHEMBL5201901

Cc1ccc2c(c1)nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.47
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
TP53 P04637 5/20 0.42
MAPT P10636 4/20 0.42
RORC P51449 1/20 0.41
P2RX3 P56373 3/20 0.40
TLR8 Q9NR97 1/20 0.39
GAA P10253 1/20 0.39
P2RX2 Q9UBL9 1/20 0.38
TRPC5 Q9UL62 1/20 0.36
GNRHR P30968 2/20 0.36

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
SCHEMBL5200987 0.89 RORC (0.50) PDE2APDE10ATP53MAPTRORC
SCHEMBL5204267 0.85 PDE2A (0.56) PDE2APDE10ATP53MAPTGAA
SCHEMBL5204739 0.85 MAPT (0.44) PDE2APDE10ATP53MAPTGAA
SCHEMBL5201134 0.83 TP53 (0.57) PDE2APDE10ATP53MAPTGAA
SCHEMBL5202514 0.80 F7 (0.46) MAPTGAA
SCHEMBL13295656 0.78 BRD4 (0.47) TP53MAPTGAA
SCHEMBL5201783 0.77 PDE2A (0.47) PDE2APDE10ATP53MAPTRORC
SCHEMBL5202014 0.77 TSPO (0.37) PDE2APDE10ATP53MAPTRORC
SCHEMBL13295657 0.76 TP53 (0.42) TP53MAPTGAA
SCHEMBL5201945 0.76 PDE2A (0.35) PDE2APDE10ATP53MAPTGAA

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 NLRP3 2519/4885PDE2A 2118/4885PDE10A 3846/4885

“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.