SCHEMBL38227

SCHEMBL38227

O=C(NCc1ccccc1)c1ccc(-c2cccs2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 1.00
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
MAP4K4 O95819 1/20 0.50
PRKCG P05129 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
MAPK1 P28482 1/20 0.50
AKT1 P31749 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
PRKX P51817 1/20 0.50

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
SCHEMBL14974164 0.93 HPGDS (1.00) HPGDSL3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL16495657 0.81 HPGDS (1.00) HPGDSL3MBTL1ALOX15ROCK2RPS6KA5
SCHEMBL14082857 0.80 HPGDS (0.67) HPGDSLMNASMN1; SMN2NPC1RAB9A
SCHEMBL38259 0.78 HPGDS (1.00) HPGDSROCK2
SCHEMBL13876385 0.78 HPGDS (0.64) HPGDSSMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL3200853 0.78 HPGDS (0.67) HPGDSL3MBTL1KDM4E
SCHEMBL38498 0.78 HPGDS (0.63) HPGDSLMNASMN1; SMN2NPC1RAB9A
SCHEMBL44435 0.78 HPGDS (0.64) HPGDS
SCHEMBL13450997 0.77 L3MBTL1 (0.69) HPGDSL3MBTL1LMNARAB9AALOX15
SCHEMBL16495576 0.76 HPGDS (0.82) HPGDSL3MBTL1LMNANPC1ALOX15

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 1/4885L3MBTL1 3610/4885LMNA 3581/4885

“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.