SCHEMBL2374301

SCHEMBL2374301

CC(C)OC(=O)c1ccc2nc3ccccc3nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 7/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
LMNA P02545 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 4/20 0.48
TP53 P04637 2/20 0.48

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
SCHEMBL23997992 0.78 NPC1 (0.64) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL9944368 0.77 ALOX15 (0.71) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL707094 0.77 CA12 (0.67) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL9944364 0.76 NPC1 (0.61) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL8041186 0.75 CA12 (0.65) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL9944374 0.75 NPC1 (0.60) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL9944380 0.75 NPC1 (0.60) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL43683 0.75 NPC1 (0.65) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL701832 0.74 CA12 (0.83) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL9944375 0.73 MEN1 (0.58) NPC1RAB9AMEN1KMT2ACA12

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
US-9034857-B2 Methods for reducing superoxide anions in eukaryotic organisms HEALTH RESEARCH, INC. (US) 2015-05-19 US disclosed
US-20130150336-A1 Methods For Reducing Superoxide Anions in Eukaryotic Organisms STC.UNM (US) 2013-06-13 US disclosed
WO-2011119798-A1 METHODS FOR REDUCING SUPEROXIDE ANIONS IN EUKARYOTIC ORGANISMS HEALTH RESEARCH, INC. (US) 2011-09-29 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-20130150336-A1 Methods For Reducing Superoxide Anions in Eukaryotic Organisms TXN2, TXNRD2, PRDX5 NPC1 1704/4885RAB9A 3105/4885MEN1 4717/4885

“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.