SCHEMBL24209779

SCHEMBL24209779

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.76
▸ MEN1 O00255 5/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.72
▸ ALDH1A1 P00352 3/20 0.71
▸ ATM Q13315 1/20 0.69
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.67
▸ PPARG P37231 1/20 0.64
▸ NCOA2 Q15596 1/20 0.64
▸ NCOA1 Q15788 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ NCOA3 Q9Y6Q9 1/20 0.64
▸ ALOX5 P09917 1/20 0.63
▸ HPGD P15428 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ ALOX12 P18054 1/20 0.61

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
SCHEMBL24210088 0.95 KMT2A (0.83) KMT2AMEN1NPSR1ALDH1A1ATM
SCHEMBL24209749 0.94 KMT2A (0.82) KMT2AMEN1NPSR1ALDH1A1ATM
SCHEMBL24209697 0.94 ALDH1A1 (0.82) KMT2AMEN1NPSR1ALDH1A1ATM
SCHEMBL24209874 0.92 NPSR1 (0.66) KMT2AMEN1NPSR1ALDH1A1ATM
SCHEMBL24019617 0.86 NPSR1 (0.71) KMT2AMEN1NPSR1ALDH1A1CYP1A2
SCHEMBL24209778 0.86 NPSR1 (0.67) KMT2AMEN1NPSR1ALDH1A1CYP1A2
SCHEMBL24209903 0.84 NPSR1 (0.68) KMT2AMEN1NPSR1ALDH1A1CYP1A2
SCHEMBL24210094 0.84 NPSR1 (1.00) KMT2AMEN1NPSR1ALDH1A1CYP1A2
SCHEMBL24209776 0.84 NPSR1 (0.77) KMT2AMEN1NPSR1ALDH1A1CYP1A2
SCHEMBL25609962 0.83 NPSR1 (0.67) KMT2AMEN1NPSR1ALDH1A1CYP1A2

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 3702/4885NPSR1 4502/4885

“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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