SCHEMBL29355291

SCHEMBL29355291

Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCCN)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA9 Q16790 3/20 0.58
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
RAB9A P51151 6/20 0.56
HPGD P15428 5/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 2/20 0.55
GLA P06280 1/20 0.55
TDP1 Q9NUW8 3/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPT P10636 1/20 0.51

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
SCHEMBL5664318 1.00 CA12 (0.58) CA12CA1CA9KDM4EALDH1A1
SCHEMBL29543976 1.00 CA12 (0.58) CA12CA1CA9KDM4EALDH1A1
SCHEMBL7203173 1.00 CA12 (0.58) CA12CA1CA9KDM4EALDH1A1
Acetic Acid SCHEMBL29576439 0.97 CA12 (0.58) CA12CA1CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29398934 0.96 CA12 (0.58) CA12CA1CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29787847 0.96 CA12 (0.58) CA12CA1CA9KDM4EALDH1A1
SCHEMBL7205674 0.92 CA12 (0.52) CA12CA1CA9KDM4EALDH1A1
SCHEMBL7205667 0.92 CA12 (0.52) CA12CA1CA9KDM4EALDH1A1
SCHEMBL6918937 0.92 CA12 (0.52) CA12CA1CA9KDM4EALDH1A1
SCHEMBL29543708 0.92 CA12 (0.52) CA12CA1CA9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116510024-A Composition, preparation method and application thereof 上海复东生物医药有限责任公司 2023-08-01 CN claimed
CN-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 CN disclosed
WO-2024175450-A1 SUBSTITUTED S-ALANINATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2024-08-29 WO disclosed
EP-4396183-A1 SUBSTITUTED S-ALANINATE DERIVATIVES Bayer Aktiengesellschaft (DE) 2024-07-10 EP disclosed
EP-4093730-B1 HDAC DEGRADER UNIV LEICESTER (GB) 2024-05-08 EP disclosed
CN-110167955-B Bacterial inhibitors 梅哈里医学院 2024-04-02 CN disclosed
CN-116510024-A Composition, preparation method and application thereof 上海复东生物医药有限责任公司 2023-08-01 CN disclosed
CN-113717965-B Streptomyces trypsin specific transformation method and application thereof 江南大学 2023-07-18 CN disclosed
US-20230120211-A1 HDAC Degrader UNIVERSITY OF LEICESTER (GB) 2023-04-20 US disclosed
WO-2023031083-A1 SUBSTITUTED S-ALANINATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-09 WO disclosed
EP-4093730-A1 HDAC DEGRADER University of Leicester (GB) 2022-11-30 EP disclosed
US-11504414-B2 Bacterial inhibitors MEHARRY MEDICAL COLLEGE 2022-11-22 US disclosed
WO-2022178128-A1 SELECTIVE NEUTRAL PH INHIBITOR OF CATHEPSIN B THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-25 WO disclosed
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
EP-3941900-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 Deutsches Krebsforschungszentrum (DE) 2022-01-26 EP 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 (2 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-20230120211-A1 HDAC Degrader HDAC1, HDAC11, HDAC3 CA12 1918/4885CA1 2103/4885CA9 1107/4885
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 HDAC10, HDAC1, HDAC11 CA12 1669/4885CA1 490/4885CA9 1600/4885

“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.