SCHEMBL14974164

SCHEMBL14974164

O=C(O)c1ccc(CNC(=O)c2ccc(-c3cccs3)nc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 1.00
NR1H4 Q96RI1 4/20 0.50
EPHX2 P34913 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 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
SCHEMBL38227 0.93 HPGDS (1.00) HPGDSEPHX2L3MBTL1LMNASMN1; SMN2
SCHEMBL3200853 0.82 HPGDS (0.67) HPGDSL3MBTL1KDM4E
SCHEMBL13876385 0.76 HPGDS (0.64) HPGDSEPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL38498 0.76 HPGDS (0.63) HPGDSLMNASMN1; SMN2NPC1RAB9A
SCHEMBL5128689 0.74 HPGDS (0.59) HPGDSNR1H4EPHX2LMNASMN1; SMN2
SCHEMBL16495657 0.74 HPGDS (1.00) HPGDSNR1H4EPHX2L3MBTL1HDAC1
SCHEMBL27822779 0.74 L3MBTL1 (0.81) HPGDSNR1H4EPHX2L3MBTL1SMN1; SMN2
SCHEMBL14457462 0.74 HPGDS (0.60) HPGDSEPHX2LMNASMN1; SMN2RAB9A
SCHEMBL44435 0.73 HPGDS (0.64) HPGDS
SCHEMBL14082857 0.73 HPGDS (0.67) HPGDSNR1H4EPHX2LMNASMN1; SMN2

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
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

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 1/4885NR1H4 1360/4885EPHX2 81/4885

“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.