SCHEMBL5201318

SCHEMBL5201318

CC(=O)OCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NOD2 Q9HC29 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
PTGER1 P34995 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
ELANE P08246 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
SCHEMBL5203923 0.86 MAPT (0.39) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL5204113 0.84 TLR8 (0.43) KDM4EALDH1A1KMT2AMEN1CNR2
SCHEMBL5203916 0.83 TP53 (0.36) KDM4EALDH1A1KMT2AMEN1CNR2
SCHEMBL5205333 0.82 KMT2A (0.36) ALDH1A1KMT2AMEN1CNR2MAPT
SCHEMBL5200966 0.81 MAPT (0.40) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL5203544 0.80 TLR8 (0.41) ALDH1A1MAPTMAPK1PTGDR2TP53
SCHEMBL5202072 0.79 MAPT (0.39) ALDH1A1KMT2AMEN1CNR2MAPT
SCHEMBL5202583 0.79 TP53 (0.39) ALDH1A1KMT2AMEN1CNR2MAPT
SCHEMBL5205430 0.79 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CNR2MAPT
SCHEMBL5201022 0.79 TLR8 (0.39) KDM4EHSD17B10ALDH1A1KMT2AMEN1

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 KDM4E 291/4885HSD17B10 1601/4885ALDH1A1 435/4885

“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.