SCHEMBL5822962

SCHEMBL5822962

Cc1ccc(-c2nnn[nH]2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
ALPL P05186 1/20 0.39
CA9 Q16790 1/20 0.39
NPBWR1 P48145 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
HTR7 P34969 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 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
SCHEMBL10457975 0.93 NOTUM (0.39) NOTUMALPLCA9NPBWR1ALDH1A1
SCHEMBL7315346 0.84 ALDH1A1 (0.53) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL22878421 0.84 NISCH (0.44) NOTUMMAPT
SCHEMBL8221888 0.84
SCHEMBL6788959 0.84 ALDH1A1 (0.45) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL25065199 0.84 PIK3CD (0.40) ALDH1A1MAPT
SCHEMBL20339943 0.84 NPBWR1 (0.40) NOTUMNPBWR1ALDH1A1MEN1KMT2A
SCHEMBL10254581 0.84 TYMP (0.40) ALDH1A1NPC1MAPTRAB9A
SCHEMBL6611955 0.84 FGFR1 (0.46) TP53
SCHEMBL10321032 0.84 ALDH1A1 (0.48) ALDH1A1NPC1MAPTRAB9AMEN1

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
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
CN-102335211-A Application of andrographis paniculata nees extract and chemical components thereof in preparation of medicines used for treating pathological angiogenesis diseases UNIV SHANGHAI OF T C M 2012-02-01 CN disclosed
WO-2006086229-A1 THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2006-08-17 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-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 NOTUM 1838/4885ALPL 3584/4885CA9 4363/4885

“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.