SCHEMBL21702241

SCHEMBL21702241

O=C(CNC(=O)c1cc2ccccc2o1)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAOB P27338 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 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
SCHEMBL23506334 1.00 HPGD (0.48) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL23506229 0.95 HPGD (0.50) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL21702237 0.95 HPGD (0.50) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL23711629 0.95 HPGD (0.50) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL23711720 0.94 TDP1 (0.45) HPGDALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL23711763 0.94 HDAC2 (0.41) HPGDALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL23711731 0.91 HPGD (0.39) HPGDALDH1A1TP53SMN1; SMN2CTSL
SCHEMBL23711733 0.90 TP53 (0.52) HPGDALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL23506457 0.89 RAB9A (0.41) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL23711730 0.89 CTSL (0.39) HPGDALDH1A1TP53SMN1; SMN2CTSL

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-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 — — US disclosed
WO-2021151387-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND 中国科学院上海药物研究所 2021-08-05 — — WO disclosed
WO-2020030143-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2020-02-13 — — 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-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS HPGD 1413/4885ALDH1A1 2113/4885TP53 4099/4885

“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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