SCHEMBL5207055

SCHEMBL5207055

COc1ccc(-c2nc3c([N+](=O)[O-])cccc3n2Cc2c(F)cccc2F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 4/20 0.56
ADORA3 P0DMS8 2/20 0.40
EIF4E P06730 1/20 0.40
AMY1A P0DUB6 1/20 0.39
ADORA2A P29274 5/20 0.38
ADORA1 P30542 5/20 0.38
GNRHR P30968 3/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5202196 0.83 ADORA2A (0.39) ADORA3ADORA2AADORA1GNRHR
SCHEMBL5201720 0.81 DCTPP1 (0.51) DCTPP1GNRHRALDH1A1
SCHEMBL5201836 0.80 DCTPP1 (0.47) DCTPP1ADORA3ADORA2AADORA1GNRHR
SCHEMBL17671347 0.73 DCTPP1 (0.77) DCTPP1ADORA3HPGDALDH1A1LMNA
SCHEMBL17671362 0.72 DCTPP1 (1.00) DCTPP1ADORA3ALDH1A1LMNASMN1; SMN2
SCHEMBL17671384 0.70 DCTPP1 (0.79) DCTPP1ADORA3HPGDALDH1A1LMNA
SCHEMBL31557632 0.69 EIF4E (0.57) EIF4EAMY1AHPGDALDH1A1MAPT
SCHEMBL17671367 0.69 DCTPP1 (0.73) DCTPP1ADORA3ALDH1A1LMNASMN1; SMN2
SCHEMBL17671330 0.68 DCTPP1 (0.76) DCTPP1ADORA3ALDH1A1LMNAMAPT
SCHEMBL17671372 0.68 DCTPP1 (0.74) DCTPP1ADORA3ALDH1A1LMNAMAPT

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 DCTPP1 354/4885ADORA3 1112/4885EIF4E 2320/4885

“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.