SCHEMBL24209876

SCHEMBL24209876

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccccc1F

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.83
▸ MEN1 O00255 4/20 0.83
▸ POLB P06746 2/20 0.70
▸ NPSR1 Q6W5P4 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.66
▸ HPGD P15428 2/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ KDM4E B2RXH2 1/20 0.63
▸ TSHR P16473 2/20 0.62
▸ USP2 O75604 1/20 0.59

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
SCHEMBL24019596 0.89 CPB1 (0.71) KMT2AMEN1POLBNPSR1ALDH1A1
SCHEMBL24210195 0.88 KMT2A (0.73) KMT2AMEN1POLBNPSR1ALDH1A1
SCHEMBL24209696 0.88 NPSR1 (0.67) KMT2AMEN1POLBNPSR1ALDH1A1
SCHEMBL24210088 0.86 KMT2A (0.83) KMT2AMEN1NPSR1ALDH1A1HPGD
SCHEMBL24210095 0.85 TSHR (0.85) KMT2AMEN1POLBNPSR1ALDH1A1
SCHEMBL6279510 0.84 KMT2A (0.73) KMT2AMEN1POLBNPSR1ALDH1A1
SCHEMBL24209779 0.83 KMT2A (0.76) KMT2AMEN1NPSR1ALDH1A1HPGD
SCHEMBL24209749 0.83 KMT2A (0.82) KMT2AMEN1POLBNPSR1ALDH1A1
SCHEMBL24209692 0.83 LMNA (0.83) KMT2AMEN1POLBNPSR1ALDH1A1
SCHEMBL3502240 0.80 KMT2A (0.89) KMT2AMEN1POLBNPSR1ALDH1A1

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-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

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-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS CHUK, HIPK3, HIPK1 KMT2A 2532/4885MEN1 3702/4885POLB 980/4885

“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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