SCHEMBL24792702

SCHEMBL24792702

Cn1c(=O)oc2cc(C3=CCCN(C(=O)OC(C)(C)C)C3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CYP11B2 P19099 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL23123052 0.85 ALDH1A1 (0.46) ALDH1A1HPGDTSHRPKMCYP11B2
SCHEMBL24792912 0.80 CREBBP (0.40) ALDH1A1ESR2KDM4ENR1H2MAPK1
SCHEMBL24793538 0.77 ASAH1 (0.41) ALDH1A1HPGDTSHRPKMESR2
SCHEMBL31749917 0.77 CDK9 (0.39) ESR2NR1H2
SCHEMBL3986657 0.77 ESR2 (0.45) ESR2POLBNR1H2MAPK1
SCHEMBL30082686 0.76 LMNA (0.50) ALDH1A1SMN1; SMN2POLBMAPK1LMNA
SCHEMBL24793535 0.76 LMNA (0.50) ALDH1A1SMN1; SMN2POLBMAPK1LMNA
SCHEMBL29197658 0.76 ESR2 (0.55) ALDH1A1ESR2SMN1; SMN2NR1H2MAPK1
SCHEMBL25429308 0.76 WDR5 (0.42) ALDH1A1ESR2POLBNR1H2MAPK1
SCHEMBL22944325 0.76 MAPK1 (0.44) ESR2NR1H2MAPK1PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 — — US disclosed
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 — — US disclosed
EP-4031535-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
CN-114761386-A Substituted N-heterocyclic carboxamides as acid ceramidase inhibitors and their use as pharmaceuticals 比亚尔R&D投资股份公司 2022-07-15 — — CN 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-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH2, ASAH1, GBA1 ALDH1A1 1191/4885HPGD 515/4885TSHR 4621/4885

“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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