SCHEMBL5201245

SCHEMBL5201245

Cc1cccc2nc(-c3cccnc3)[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
LDHA P00338 1/20 0.59
EPHX2 P34913 1/20 0.59
HPGD P15428 2/20 0.54
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
STAT1 P42224 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPY5R Q15761 5/20 0.52
KMT2A Q03164 1/20 0.51
KDM4C Q9H3R0 1/20 0.50
HTT P42858 1/20 0.49
CYP11B1 P15538 1/20 0.49
TSHR P16473 1/20 0.48
PNP P00491 1/20 0.47
GUSB P08236 1/20 0.46
ELANE P08246 1/20 0.46
CYP2A6 P11509 1/20 0.45

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
SCHEMBL14115793 0.84 NPC1 (0.41) KDM4ELDHAEPHX2HPGDMAPT
SCHEMBL5201211 0.83 GAA (0.58) KDM4EHPGDMAPTALDH1A1NPC1
SCHEMBL6368201 0.82 NPC1 (0.55) KDM4EHPGDMAPTALDH1A1NPC1
SCHEMBL14090256 0.81 GUSB (0.43) KDM4ELDHAEPHX2HPGDMAPT
SCHEMBL2680641 0.80 CDK1 (0.53) KDM4ELDHAEPHX2HPGDMAPT
SCHEMBL12636735 0.78 TNKS (0.54) KDM4EHPGDMAPTALDH1A1NPC1
Hydrochloric Acid SCHEMBL9662840 0.77 KDM4E (0.54) KDM4ELDHAEPHX2HPGDMAPT
SCHEMBL6806964 0.76 PKN1 (0.65) KDM4ELDHAEPHX2HPGDMAPT
SCHEMBL24075261 0.76 RAB9A (0.73) KDM4ELDHAEPHX2HPGDMAPT
SCHEMBL5201233 0.76 MGAM (0.70) KDM4ELDHAEPHX2HPGDMAPT

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 KDM4E 291/4885LDHA 1983/4885EPHX2 1960/4885

“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.