SCHEMBL22016322

SCHEMBL22016322

N#Cc1cccc(CNC(=O)C2(S/C(=N/N)N(N)c3ccc(C(=O)O)cc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.40
▸ ERCC1 P07992 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ ROCK2 O75116 5/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ VNN1 O95497 2/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MEP1B Q16820 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALKBH1 Q13686 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
SCHEMBL22016088 0.83 ERCC1 (0.43) MAOAERCC1ERCC4ROCK2TAS2R14
SCHEMBL22010404 0.81 KMO (0.41) ERCC1ERCC4NAMPTALKBH1
SCHEMBL22009701 0.78 TAS2R14 (0.36) MAOATAS2R14
SCHEMBL22009404 0.73 KDM1A (0.37) TP53
SCHEMBL21952006 0.71 HPGD (0.47) MAOAERCC1ERCC4VNN1MMP13
SCHEMBL30278755 0.71 HPGD (0.47) MAOAERCC1ERCC4VNN1MMP13
SCHEMBL25610591 0.69 NR3C2 (0.38) MAOAERCC1ERCC4ROCK2VNN1
SCHEMBL22016318 0.69 RAB9A (0.47) TAS2R14CHRM3TP53
SCHEMBL22016042 0.69 MEN1 (0.43) MAOAROCK2MMP13MEP1B
SCHEMBL22010402 0.68 PARP15 (0.36) —

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-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 — — US disclosed
EP-3909577-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER Fundación Profesor Novoa Santos (ES) 2021-11-17 — — EP disclosed
WO-2020099652-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2020-05-22 — — 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-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER XIAP, UBQLN1, MDM2 MAOA 2558/4885ERCC1 672/4885ERCC4 435/4885

“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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