SCHEMBL24257747

SCHEMBL24257747

COc1c(C(=O)O)ncc(N2CCC(c3ccccc3)CC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRM2 Q14416 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.40
HSD11B1 P28845 1/20 0.40
OGA O60502 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 1/20 0.39
SLC18A3 Q16572 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
MLYCD O95822 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL24257590 0.85 EGLN1 (0.42) DHFRALDH1A1L3MBTL1GRM2HTT
SCHEMBL24257588 0.80 DHFR (0.46) DHFRGRM2MAPT
SCHEMBL24257831 0.75 EGLN1 (0.45) DHFRGRM2
SCHEMBL24257469 0.73 EGLN1 (0.53)
SCHEMBL16755857 0.71 GRM2 (0.50) DHFRGRM2
SCHEMBL16755875 0.68 GRM2 (0.45) GRM2KMT2AMAPTLMNA
SCHEMBL24257860 0.68 DHFR (0.48) DHFRGRM2
SCHEMBL16755804 0.67 GRM2 (0.51) DHFRGRM2
SCHEMBL16755905 0.67 GRM2 (0.48) DHFRGRM2
SCHEMBL24257708 0.66 ALDH1A1 (0.38) ALDH1A1L3MBTL1HTTKMT2AMAPT

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-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 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-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HIF1AN, EGLN3, PHF20 DHFR 1618/4885ALDH1A1 1362/4885L3MBTL1 3696/4885

“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.