SCHEMBL5201251

SCHEMBL5201251

Cc1cccc2c1nc(C=O)n2Cc1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
ALDH1A1 P00352 4/20 0.37
VDR P11473 2/20 0.37
PKM P14618 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.34
PTGER4 P35408 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE7B Q9NP56 1/20 0.33
PPARG P37231 1/20 0.33
GNRHR P30968 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
SCHEMBL5201899 0.80 TLR8 (0.39) TLR8ALDH1A1MAPTMEN1KMT2A
SCHEMBL5203544 0.80 TLR8 (0.41) TLR8ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL5204108 0.78 TLR8 (0.40) TLR8ALDH1A1PKMMAPTMEN1
SCHEMBL5203556 0.77 PPARG (0.43) TLR8ALDH1A1MAPTMEN1KMT2A
SCHEMBL5201306 0.75 KCNK13 (0.45) TLR8ALDH1A1MAPTMEN1KMT2A
SCHEMBL5207236 0.73 ALDH1A1 (0.40) TLR8ALDH1A1MAPTKMT2AMAPK1
SCHEMBL5204858 0.73 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5201108 0.73 CYP11B2 (0.50) HTTTP53
SCHEMBL5204661 0.73 GNRHR (0.41) TLR8ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL5202670 0.72 TLR8 (0.39) TLR8ALDH1A1MAPTMEN1KMT2A

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 5 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
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

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 TLR8 2465/4885ALDH1A1 435/4885VDR 3217/4885

“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.