SCHEMBL5204081

SCHEMBL5204081

O=[N+]([O-])c1ccc2[nH]c(-c3c(F)cccc3F)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
MAPT P10636 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPBWR1 P48145 8/20 0.51
NPC1 O15118 4/20 0.51
AMY1A P0DUB6 2/20 0.51
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
MMP13 P45452 3/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL2362143 0.91 NPBWR1 (0.54) F7F3MAPTRAB9ASMN1; SMN2
SCHEMBL5204090 0.89 RAB9A (0.67) MAPTRAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL3190704 0.85 AMY1A (0.59) MAPTRAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL4814783 0.82 RAB9A (0.60) MAPTRAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL28761269 0.81 RAB9A (0.80) MAPTRAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL4497810 0.80 NPBWR1 (0.65) MAPTRAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL3183535 0.80 MAPT (0.66) MAPTRAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL2308775 0.79 NPBWR1 (0.79) MAPTRAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL5566197 0.79 NPC1 (0.78) MAPTRAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL27567547 0.78 ALDH1A1 (0.56) MAPTRAB9ASMN1; SMN2HTTL3MBTL1

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 9 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
EP-0963371-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) 1999-12-15 EP disclosed
WO-1998037072-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-27 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 F7 4380/4885F3 2219/4885MAPT 2190/4885

“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.