SCHEMBL5579673

SCHEMBL5579673

Cn1c(-c2ccc(O)cc2)nc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.64
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
SRD5A2 P31213 1/20 0.51
HDAC6 Q9UBN7 3/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
ACSS2 Q9NR19 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
MAPT P10636 1/20 0.46
CYP3A4 P08684 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
SCHEMBL5579901 0.85 ALDH1A1 (0.57) PTGESHDAC6LMNACYP1A2PTGS1
SCHEMBL30789263 0.80 ALDH1A1 (0.59) MEN1KMT2ALMNAMAPT
SCHEMBL30789261 0.79 ESR1 (0.52) LMNAMAPT
SCHEMBL28021758 0.79 HDAC6 (0.58) PTGESMEN1NPC1RAB9AKMT2A
SCHEMBL5579985 0.77 CA1 (0.54) MEN1NPC1RAB9AKMT2AHDAC6
SCHEMBL11326133 0.74 ALDH1A1 (0.71) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL11497454 0.74 PTGES (0.51) PTGESMEN1NPC1RAB9AKMT2A
SCHEMBL30789250 0.73 ALDH1A1 (0.61) MEN1KMT2ALMNACYP1A2CYP2C19
SCHEMBL30789276 0.73 TP53 (0.71) NPC1RAB9ALMNAMAPT
SCHEMBL28202091 0.72 RAB9A (0.50) PTGESMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004713-A1 Therapeutic benimidazole compounds ASTRAZENECA AB (SE) 2007-01-04 US disclosed
EP-1341768-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS AstraZeneca AB (SE) 2003-09-10 EP disclosed
WO-2002046168-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 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-20070004713-A1 Therapeutic benimidazole compounds ESR2, ESRRA, ESRRB PTGES 670/4885MEN1 3071/4885NPC1 1423/4885

“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.