SCHEMBL5201899

SCHEMBL5201899

Cc1cccc2c1nc(C(C)C)n2Cc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HTR6 P50406 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 2/20 0.35
ALOX5AP P20292 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5203544 0.81 TLR8 (0.41) TLR8ALDH1A1GAAMAPTMAPK1
SCHEMBL5201251 0.80 TLR8 (0.39) TLR8ALDH1A1MAPTMAPK1TP53
SCHEMBL5204108 0.80 TLR8 (0.40) TLR8ALDH1A1NPSR1MAPTMAPK1
SCHEMBL5203556 0.78 PPARG (0.43) TLR8ALDH1A1TSHRMAPTMAPK1
SCHEMBL5201306 0.76 KCNK13 (0.45) TLR8ALDH1A1GAANOS3NOS1
SCHEMBL5204661 0.76 GNRHR (0.41) TLR8ALDH1A1GAANPSR1MAPT
SCHEMBL22962310 0.76 LMNA (0.39) ALDH1A1TSHRGAANPSR1HTR6
SCHEMBL5207236 0.74 ALDH1A1 (0.40) TLR8ALDH1A1GAANPSR1MAPT
SCHEMBL5201108 0.74 CYP11B2 (0.50) GAANOS2LMNATP53
SCHEMBL5202670 0.73 TLR8 (0.39) TLR8ALDH1A1GAAMAPTMAPK1

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 TLR8 2465/4885ALDH1A1 435/4885TSHR 4403/4885

“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.