SCHEMBL44435

SCHEMBL44435

O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2cccs2)nc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 15/20 0.64
TACR3 P29371 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL38259 0.78 HPGDS (1.00) HPGDSSIRT2
SCHEMBL3200853 0.78 HPGDS (0.67) HPGDSKMT2A
SCHEMBL38497 0.78 HPGDS (1.00) HPGDSMEN1KMT2ASIRT2
SCHEMBL14974013 0.78 HPGDS (1.00) HPGDSMEN1KMT2ASIRT2
SCHEMBL38227 0.78 HPGDS (1.00) HPGDS
SCHEMBL7318727 0.74 HPGDS (0.58) HPGDSMEN1KMT2A
SCHEMBL7317667 0.73 HPGDS (0.57) HPGDSMEN1KMT2A
SCHEMBL13876385 0.73 HPGDS (0.64) HPGDS
SCHEMBL14974164 0.73 HPGDS (1.00) HPGDS
Hydrochloric Acid SCHEMBL30685194 0.73 HPGDS (0.56) HPGDSMEN1KMT2ASIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576536-B1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS UNIV QUEENSLAND (AU) 2016-09-14 EP disclosed
US-9199976-B2 Haematopoietic-prostaglandin D2 synthase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-30 US disclosed
EP-2576536-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS The University of Queensland (AU) 2013-04-10 EP disclosed
WO-2011150457-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2011-12-08 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-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS HPGDS, PTGES, PTGIS HPGDS 1/4885TACR3 4201/4885BAZ2B 1852/4885

“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.