SCHEMBL25476852

SCHEMBL25476852

CC(=O)C1CCCN1C(=O)NCc1nc([C@@H](N)Cc2ccccc2)no1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ FKBP1A P62942 3/20 0.43
▸ POLB P06746 2/20 0.42
▸ TACR1 P25103 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL21168268 0.93 LTA4H (0.47) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL21168269 0.93 LTA4H (0.47) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL25476856 0.84 ACE (0.37) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL21999092 0.84 FKBP1A (0.48) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL25476847 0.83 F2 (0.36) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL25476858 0.82 DPP4 (0.34) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL24058760 0.79 REN (0.39) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL25476871 0.78 F2 (0.39) F2ALDH1A1FKBP1AACE
SCHEMBL24058544 0.78 ACE (0.37) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL24058502 0.78 ACE (0.37) CYP3A4CYP2C9PKMCYP2C19F2

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-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways AURIGENE ONCOLOGY LIMITED (IN) 2023-05-11 — — 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-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 CYP3A4 4726/4885CYP2C9 4797/4885PKM 1938/4885

“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.

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