SCHEMBL22009384

SCHEMBL22009384

O=C(O)c1ccc(-n2nnnc2SCC(=O)N2CCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.69
TSHR P16473 4/20 0.69
HPGD P15428 2/20 0.60
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 1/20 0.56
CRHBP P24387 1/20 0.56
RAB9A P51151 1/20 0.56
CRHR2 Q13324 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL24209750 0.99 ALDH1A1 (0.71) ALDH1A1TSHRHPGDLMNANPSR1
SCHEMBL24210125 0.99 ALDH1A1 (0.71) ALDH1A1TSHRHPGDLMNANPSR1
SCHEMBL24209738 0.90 GAA (0.68) ALDH1A1TSHRHPGDLMNASMN1; SMN2
SCHEMBL24209789 0.90 ALDH1A1 (0.61) ALDH1A1TSHRHPGDLMNANPSR1
SCHEMBL24209735 0.88 ALDH1A1 (0.58) ALDH1A1TSHRHPGDLMNANPSR1
SCHEMBL24209736 0.87 ALDH1A1 (0.58) ALDH1A1TSHRHPGDLMNANPSR1
SCHEMBL25334790 0.87 ALDH1A1 (0.67) ALDH1A1TSHRHPGDKMT2ACRHBP
SCHEMBL22016331 0.86 ALDH1A1 (0.70) ALDH1A1TSHRHPGDLMNAKMT2A
SCHEMBL24209629 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHPGDLMNANPSR1
SCHEMBL25937563 0.83 ALDH1A1 (0.66) ALDH1A1TSHRHPGDLMNAKMT2A

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 4 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
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 US disclosed
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUND PROFESOR NOVOA SANTOS (ES) 2022-01-20 US 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 (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-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER XIAP, UBQLN1, MDM2 ALDH1A1 1206/4885TSHR 4635/4885HPGD 2761/4885
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS CHUK, HIPK3, HIPK1 ALDH1A1 967/4885TSHR 4382/4885HPGD 1570/4885

“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.