SCHEMBL5504989

SCHEMBL5504989

O=[N+]([O-])c1ccc2[nH]c(SCc3ccccc3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
LMNA P02545 3/20 0.73
TP53 P04637 1/20 0.73
HTT P42858 3/20 0.72
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
CYP1A2 P05177 1/20 0.61
HPGD P15428 1/20 0.61
CTSB P07858 2/20 0.60
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
POLB P06746 2/20 0.52

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
SCHEMBL8559255 0.90 MAPT (0.73) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693643 0.88 MAPT (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693641 0.88 MAPT (0.75) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693638 0.87 HTT (0.69) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693637 0.87 HTT (0.69) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693634 0.85 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL16366745 0.85 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693650 0.85 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693649 0.83 HPGD (0.64) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8634298 0.83 MAPT (0.61) MAPTSMN1; SMN2NPC1RAB9ALMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
WO-2014204859-A2 BCL6 INHIBITORS AS ANTICANCER AGENTS MELNICK ARI (US) 2014-12-24 WO disclosed
US-8710082-B2 Benzimidazole inhibition of biofilm formation BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2014-04-29 US disclosed
US-8710082-B2 Benzimidazole inhibition of biofilm formation BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2014-04-29 US disclosed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed
EP-0843671-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-05-27 EP disclosed
WO-1997003069-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-01-30 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-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A MAPT 2263/4885SMN1; SMN2 4357/4885NPC1 1880/4885

“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.