SCHEMBL23451665

SCHEMBL23451665

CC(C)(C)c1ccc(-c2nnc(O)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
S1PR1 P21453 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
NOTUM Q6P988 1/20 0.51
EGFR P00533 1/20 0.49
IKBKB O14920 2/20 0.47
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.43
TYR P14679 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL3293191 0.86 NPC1 (0.75) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL2623780 0.86 NPC1 (0.75) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL969124 0.85 KDM4E (0.64) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL4017705 0.85 KDM4E (0.64) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL6296907 0.84 NPC1 (0.72) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL1104799 0.84 NPC1 (0.72) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL18741407 0.84 KDM4E (0.62) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL21777008 0.81 KDM4E (0.62) KDM4ENPC1RAB9ANOTUMIKBKB
SCHEMBL12427246 0.81 NPC1 (0.68) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL460873 0.81 NPC1 (0.68) KDM4ENPC1RAB9AS1PR1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 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 (2 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 KDM4E 3907/4885NPC1 51/4885RAB9A 2177/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT KDM4E 4149/4885NPC1 7/4885RAB9A 1162/4885

“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.