SCHEMBL5202503

SCHEMBL5202503

CC(O)CC(=O)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 9/20 0.35
PPARG P37231 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
CD38 P28907 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL5204220 0.83 DHODH (0.43) PPARGPTGDR2RORCCDK1CDK4
SCHEMBL5202059 0.82 EED (0.40) PPARGPTGDR2PKN1PKN2ALDH1A1
SCHEMBL5203566 0.82 PKN1 (0.46) PKN1PKN2CDK1CDK4CDK2
SCHEMBL5206750 0.81 PKN1 (0.41) PKN1PKN2RORCALDH1A1CD38
SCHEMBL5205430 0.80 ALDH1A1 (0.37) PTGDR2ALDH1A1
SCHEMBL5201109 0.80 MAPT (0.35) PPARGPTGDR2PKN1PKN2ALDH1A1
SCHEMBL5205486 0.78 KCNK13 (0.36) GNRHRPPARGPKN1PKN2ALDH1A1
SCHEMBL5203544 0.76 TLR8 (0.41) GNRHRPTGDR2ALDH1A1
SCHEMBL5204113 0.76 TLR8 (0.43) ALDH1A1KDM4E
SCHEMBL5201022 0.75 TLR8 (0.39) GNRHRPTGDR2ALDH1A1CDK1CDK4

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 4 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
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 GNRHR 4544/4885PPARG 2885/4885PTGDR2 4270/4885

“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.