SCHEMBL25555115

SCHEMBL25555115

CNCCNC[C@@H](O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ALDH1A1 P00352 3/20 0.58
ADRB2 P07550 2/20 0.54
AOC3 Q16853 3/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
ADRB3 P13945 1/20 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
SCHEMBL25555025 1.00 KDM4E (0.68) KDM4EL3MBTL1ALDH1A1ADRB2AOC3
SCHEMBL9677979 0.83 KDM4E (0.70) KDM4EL3MBTL1ALDH1A1ADRB2AOC3
SCHEMBL25555118 0.82 KDM4E (0.63) KDM4EL3MBTL1ALDH1A1ADRB2AOC3
SCHEMBL25555028 0.82 KDM4E (0.63) KDM4EL3MBTL1ALDH1A1ADRB2AOC3
Halostachine SCHEMBL11007060 0.82 KDM4E (0.68) KDM4EL3MBTL1ALDH1A1ADRB2AOC3
Halostachine SCHEMBL932123 0.82 KDM4E (0.68) KDM4EL3MBTL1ALDH1A1ADRB2AOC3
Halostachine SCHEMBL210960 0.82 KDM4E (0.68) KDM4EL3MBTL1ALDH1A1ADRB2AOC3
Halostachine SCHEMBL5076853 0.82 KDM4E (0.68) KDM4EL3MBTL1ALDH1A1ADRB2AOC3
SCHEMBL7532494 0.82 KDM4E (1.00) KDM4EL3MBTL1ALDH1A1ADRB2AOC3
SCHEMBL4408535 0.82 KDM4E (1.00) KDM4EL3MBTL1ALDH1A1ADRB2AOC3

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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF PTH1R, CALCR, VDR KDM4E 4704/4885L3MBTL1 4370/4885ALDH1A1 4312/4885

“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.