SCHEMBL20670748

SCHEMBL20670748

CC(C)(C)COCc1cn(C(C)(C)O)nn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
P2RX7 Q99572 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSP90AB1 P08238 2/20 0.31
RXRA P19793 4/20 0.30
GRIN1 Q05586 4/20 0.30
GRIN2B Q13224 4/20 0.30

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
SCHEMBL20670745 0.78 GRN (0.33)
SCHEMBL20670622 0.75 GGPS1 (0.31)
SCHEMBL20670747 0.75 HSP90AB1 (0.40) P2RX7HSP90AB1
SCHEMBL20650984 0.70 LOXL2 (0.34) NPC1HSP90AB1
SCHEMBL16851358 0.69 P2RX7 (0.39) NPC1P2RX7CYP1A2CYP2C9CYP2C19
SCHEMBL18623684 0.67 NOTUM (0.43) NPC1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL15257082 0.66 APP (0.39) HSP90AB1
SCHEMBL25511940 0.66 NPC1 (0.33) NPC1P2RX7CYP1A2CYP2C9CYP2C19
SCHEMBL25751753 0.66 RXRA (0.35) NPC1P2RX7CYP1A2CYP2C9CYP2C19
SCHEMBL24894321 0.66 NOTUM (0.39) NPC1CYP1A2CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023732-A1 OLIGONUCLEOTIDES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-01-24 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-20190023732-A1 OLIGONUCLEOTIDES NSUN3, DCLRE1B, TRDMT1 NPC1 1595/4885P2RX7 784/4885CYP1A2 4741/4885

“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.