SCHEMBL25523346

SCHEMBL25523346

CCC(C)(C)c1cn(-c2ccccc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.47
▸ MAOA P21397 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ P2RX7 Q99572 1/20 0.45
▸ DRD2 P14416 3/20 0.44
▸ DRD4 P21917 3/20 0.44
▸ DRD3 P35462 3/20 0.44
▸ HSD11B1 P28845 2/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ OGT O15294 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ APP P05067 1/20 0.39
▸ MAPK13 O15264 1/20 0.39

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
SCHEMBL6932500 0.86 P2RX7 (0.50) NOTUMMAOAL3MBTL1NPC1P2RX7
SCHEMBL28335102 0.79 AR (0.58) NOTUMMAOAL3MBTL1NPC1P2RX7
SCHEMBL26156420 0.77 PTGS2 (0.49) NOTUMMAOAL3MBTL1NPC1P2RX7
SCHEMBL12945121 0.75 OGT (0.53) NOTUMMAOAL3MBTL1NPC1P2RX7
SCHEMBL18925197 0.74 CYP19A1 (0.55) NPC1PTGS2
SCHEMBL12196274 0.72 NOTUM (0.54) NOTUMPTGS2PTGS1CA12CA1
SCHEMBL3777938 0.72 NOTUM (0.68) NOTUMMAOAL3MBTL1NPC1P2RX7
SCHEMBL12561752 0.71 NOTUM (0.62) NOTUMMAOAL3MBTL1NPC1P2RX7
SCHEMBL19000359 0.71 HRH4 (0.33) —
SCHEMBL24027315 0.70 CA12 (0.48) NOTUMPTGS2CA12CA1CA2

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-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-05-25 — — 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-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 NOTUM 3362/4885MAOA 3383/4885L3MBTL1 3421/4885

“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.

Send feedback