SCHEMBL25610591

SCHEMBL25610591

CN1N=C(SC2(C(=O)NCc3cccc(C#N)c3)CC2)N(c2ccc(C(=O)O)cc2)N1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 3/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ERCC1 P07992 1/20 0.37
▸ ERCC4 Q92889 1/20 0.37
▸ ROCK2 O75116 5/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CHRM3 P20309 2/20 0.36
▸ VNN1 O95497 2/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ NTRK1 P04629 1/20 0.36

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
SCHEMBL30278755 0.78 HPGD (0.47) MAOAERCC1ERCC4VNN1MMP13
SCHEMBL21952006 0.78 HPGD (0.47) MAOAERCC1ERCC4VNN1MMP13
SCHEMBL22016322 0.69 MAOA (0.40) MAOAERCC1ERCC4ROCK2CHRM3
SCHEMBL21952060 0.64 KMT2A (0.58) —
SCHEMBL31396269 0.64 KMT2A (0.58) —
SCHEMBL27555758 0.63 FFAR1 (0.49) VNN1
SCHEMBL3461756 0.63 ERCC1 (0.60) MAOAERCC1ERCC4ROCK2VNN1
SCHEMBL13853501 0.62 ERCC1 (0.56) MAOAERCC1ERCC4ROCK2VNN1
SCHEMBL8645386 0.62 ERCC1 (0.59) MAOAERCC1ERCC4ROCK2ROCK1
SCHEMBL38654611 0.62 ERCC1 (0.59) MAOAERCC1ERCC4ROCK2ROCK1

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 1 patent. 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

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 NR3C2 4094/4885MAOA 2558/4885ERCC1 672/4885

“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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