SCHEMBL21952041

SCHEMBL21952041

CC(C)(Sc1nnnn1-c1ccc(C(=O)O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.54
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ POLB P06746 3/20 0.50
▸ THRB P10828 1/20 0.50
▸ HPGD P15428 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ HTT P42858 4/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ PKM P14618 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALPG P10696 1/20 0.43

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
SCHEMBL31396404 0.85 RECQL (0.48) RECQLMEN1KMT2AHPGDALDH1A1
SCHEMBL21952057 0.84 MAPK1 (0.54) RECQLMEN1KMT2APOLBTHRB
SCHEMBL21952084 0.82 HPGD (0.47) RECQLMEN1KMT2APOLBHPGD
SCHEMBL21952034 0.79 MEN1 (0.46) RECQLMEN1KMT2AHPGDALDH1A1
SCHEMBL19334400 0.78 MEN1 (0.62) RECQLMEN1KMT2APOLBTHRB
SCHEMBL21952090 0.76 RECQL (0.53) RECQLMEN1KMT2APOLBTHRB
SCHEMBL24029051 0.75 MEN1 (0.53) RECQLMEN1KMT2APOLBTHRB
SCHEMBL24019625 0.75 MEN1 (0.53) RECQLMEN1KMT2APOLBTHRB
SCHEMBL24029052 0.75 MEN1 (0.53) RECQLMEN1KMT2APOLBTHRB
SCHEMBL11009668 0.74 ALDH1A1 (0.57) MEN1KMT2APOLBTHRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880199-B1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUNDACION PUBLICA GALLEGA DE INVESTIG BIOMEDICA INIBIC (ES) 2025-04-23 — — EP disclosed
CN-115768422-B Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2025-03-04 — — CN disclosed
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 — — US disclosed
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 — — US disclosed
CN-115768422-A Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2023-03-07 — — CN disclosed
CN-113677340-A Compounds that selectively and efficiently inhibit Hakai-mediated ubiquitination as anti-cancer agents 诺沃亚桑托斯教授基金会 2021-11-19 — — CN disclosed
EP-3909577-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER Fundación Profesor Novoa Santos (ES) 2021-11-17 — — EP disclosed
EP-3653208-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS Fundación Profesor Novoa Santos (ES) 2020-05-20 — — 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 (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-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER XIAP, UBQLN1, MDM2 RECQL 769/4885MEN1 3372/4885KMT2A 663/4885

“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.

Send feedback