SCHEMBL5236410

SCHEMBL5236410

COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)c1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL5232201 0.84 ALDH1A1 (0.51) KCNMA1KMT2AMEN1ALDH1A1MAPT
SCHEMBL5233088 0.82 KCNMA1 (0.62) KCNMA1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL544031 0.81 KMT2A (0.53) KCNMA1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2061831 0.80 TDP1 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL306012 0.80 MEN1 (0.46) KCNMA1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5234546 0.80 KCNMA1 (0.44) KCNMA1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2085072 0.78 TSHR (0.51) KCNMA1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8128216 0.78 KMT2A (0.56) KCNMA1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15906692 0.77 TSHR (0.50) KCNMA1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7500859 0.77 TSHR (0.50) KCNMA1KMT2AMEN1ALDH1A1SMN1; SMN2

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 6 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-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 KCNMA1 4633/4885KMT2A 402/4885MEN1 4883/4885

“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.