SCHEMBL29540477

SCHEMBL29540477

COc1ccc(OC)c2oc(C(N)=O)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
PDE4A P27815 10/20 0.46
PDE4B Q07343 10/20 0.46
PDE4C Q08493 10/20 0.46
PDE4D Q08499 10/20 0.46
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 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
SCHEMBL18384672 0.85 PDE4A (0.55) KMT2AALDH1A1LMNARECQLPDE4A
SCHEMBL18384626 0.83 LMNA (0.54) KMT2AALDH1A1LMNARECQLPDE4A
SCHEMBL8827815 0.80 ALDH1A1 (0.68) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL4745478 0.78 KMT2A (1.00) KMT2AALDH1A1LMNARECQLADORA2A
SCHEMBL3610073 0.74 LMNA (0.57) KMT2AALDH1A1LMNARECQLPDE4A
SCHEMBL18384675 0.74 KMT2A (0.54) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7056726 0.73 PDE4A (0.62) KMT2AALDH1A1LMNARECQLPDE4A
SCHEMBL14981193 0.73 LMNA (0.56) KMT2AALDH1A1LMNARECQLPDE4A
SCHEMBL28996789 0.73 ALDH1A1 (0.48) KMT2AALDH1A1CYP1A2MAPT
SCHEMBL31723109 0.72 CNR2 (0.50) KMT2AALDH1A1SMN1; SMN2MEN1MAPT

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 10 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 claimed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP claimed
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF FUDAN UNIVERSITY (CN) 2022-04-14 US claimed
US-12636275-B2 Pharmaceutical use of ketoamide-based compound SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 US disclosed
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-11-26 US disclosed
CN-113015726-B Ketone amide compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-03-08 CN disclosed
CN-113197895-B Pharmaceutical application of ketoamide compound 中国科学院上海药物研究所 2023-06-20 CN disclosed
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US disclosed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP disclosed
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF FUDAN UNIVERSITY (CN) 2022-04-14 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 (4 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-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF ACE, REN, ACE2 KMT2A 403/4885ALDH1A1 1463/4885LMNA 615/4885
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS KMT2A 859/4885ALDH1A1 2113/4885LMNA 1424/4885
US-12636275-B2 Pharmaceutical use of ketoamide-based compound CTSV, CTSL, CTSS KMT2A 2730/4885ALDH1A1 2589/4885LMNA 888/4885
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof ACE, REN, ACE2 KMT2A 403/4885ALDH1A1 1463/4885LMNA 615/4885

“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.