SCHEMBL5206952

SCHEMBL5206952

Cc1ccccc1-c1nc2ccccc2n1Cc1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
NPY1R P25929 1/20 0.48
MAPK1 P28482 1/20 0.48
NPY2R P49146 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.46
GALR3 O60755 1/20 0.46

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
SCHEMBL5201134 0.83 TP53 (0.57) TP53MAPTGAAALDH1A1NPSR1
SCHEMBL5201149 0.82 TP53 (0.74) TP53MAPTGAAALDH1A1NPSR1
SCHEMBL5204026 0.81 TNF (0.62) TP53MAPTGAAALDH1A1KMT2A
SCHEMBL13770855 0.80 ALDH1A1 (0.68) TP53MAPTALDH1A1NPSR1KMT2A
SCHEMBL10082006 0.78 ALDH1A1 (0.69) TP53MAPTGAAALDH1A1NPSR1
SCHEMBL5207236 0.77 ALDH1A1 (0.40) TP53MAPTGAAALDH1A1NPSR1
SCHEMBL30581237 0.76 KDM4E (0.66) TP53MAPTGAAALDH1A1NPSR1
SCHEMBL29076183 0.76 KDM4E (0.66) TP53MAPTGAAALDH1A1NPSR1
SCHEMBL2903474 0.76 KMT2A (0.42) TP53MAPTGAAALDH1A1NPSR1
SCHEMBL2909757 0.76 KCNN4 (0.47) TP53MAPTGAAALDH1A1NPSR1

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 TP53 3145/4885MAPT 2190/4885GAA 236/4885

“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.