SCHEMBL4306543

SCHEMBL4306543

CC(C)(C)c1ccc(C(Cn2cnnn2)OC(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.36
DPP4 P27487 1/20 0.35
EPHX1 P07099 3/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
CYP3A4 P08684 1/20 0.33
TP53 P04637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4304627 0.84 HMOX1 (0.43) TP53SMN1; SMN2MEN1KMT2A
SCHEMBL4308718 0.80 HMOX1 (0.38) TP53KMT2A
SCHEMBL4309086 0.79 DPP4 (0.36) RAB9ADPP4ALDH1A1
SCHEMBL13667426 0.79 MAPK1 (0.45) DPP4HSD17B10MEN1KMT2A
SCHEMBL4304423 0.79 LMNA (0.36) LMNAEPHX1ALDH1A1HPGDUTS2R
SCHEMBL4321585 0.78 TNIK (0.40) HPGDCYP3A4TP53KMT2A
SCHEMBL4310328 0.77 ALOX5 (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL4310355 0.75 KDM4E (0.49) ALDH1A1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL13667446 0.73 MEN1 (0.37) LMNAALDH1A1HPGDTP53HSD17B10
SCHEMBL13667447 0.73 MEN1 (0.37) LMNAALDH1A1HPGDTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 NPC1 571/4885RAB9A 1854/4885LMNA 2467/4885

“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.