SCHEMBL5202583

SCHEMBL5202583

NCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
GAA P10253 1/20 0.39
KCNK13 Q9HB14 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
THRB P10828 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GRM2 Q14416 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
CNR2 P34972 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL5202072 0.87 MAPT (0.39) TP53GAAKCNK13MAPTALDH1A1
SCHEMBL5204113 0.87 TLR8 (0.43) TP53GAAKCNK13MAPTALDH1A1
SCHEMBL5200966 0.87 MAPT (0.40) TP53GAAKCNK13MAPTALDH1A1
SCHEMBL5203923 0.85 MAPT (0.39) TP53GAAKCNK13MAPTALDH1A1
SCHEMBL5201972 0.84 KCNK13 (0.42) TP53GAAKCNK13MAPTCDK1
SCHEMBL5203916 0.84 TP53 (0.36) TP53GAAKCNK13MAPTALDH1A1
SCHEMBL14540341 0.83 TLR8 (0.40) TP53GAAKCNK13MAPTALDH1A1
SCHEMBL5203544 0.82 TLR8 (0.41) TP53GAAKCNK13MAPTALDH1A1
SCHEMBL5205430 0.82 ALDH1A1 (0.37) TP53GAAKCNK13MAPTALDH1A1
SCHEMBL5201022 0.81 TLR8 (0.39) TP53GAAKCNK13MAPTALDH1A1

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 TP53 3145/4885GAA 236/4885KCNK13 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.