SCHEMBL14974362

SCHEMBL14974362

O=c1[c]nc(=O)c2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
PARP1 P09874 5/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP1A2 P05177 3/20 0.44
GPR3 P46089 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
MEN1 O00255 1/20 0.44
TNKS O95271 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP15 Q460N3 1/20 0.44

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
SCHEMBL386239 0.76 PLAUR (0.44) KDM4EALDH1A1HPGDHTTGAA
SCHEMBL554567 0.72 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL6887071 0.69 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL577953 0.68 NPC1 (0.52) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL30014118 0.68 NPC1 (0.52) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL7977958 0.68 NUDT1 (0.46) KDM4EPARP1
Benzoylenurea SCHEMBL4559940 0.67 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL44303 0.67 CYP1A2 (0.50) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL4072710 0.67 KDM4E (0.50) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL9473323 0.67 CYP1A2 (0.50) KDM4EALDH1A1HPGDHTTLMNA

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 KDM4E 4213/4885ALDH1A1 798/4885HPGD 9/4885

“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.