SCHEMBL24209697

SCHEMBL24209697

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.82
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ LMNA P02545 2/20 0.70
▸ MAPT P10636 2/20 0.70
▸ ALOX12 P18054 1/20 0.70
▸ KMT2A Q03164 5/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.66
▸ ALOX5 P09917 1/20 0.63
▸ ATM Q13315 1/20 0.62
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.60
▸ PPARG P37231 1/20 0.58
▸ NCOA2 Q15596 1/20 0.58
▸ NCOA1 Q15788 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ NCOA3 Q9Y6Q9 1/20 0.58

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
SCHEMBL24209779 0.94 KMT2A (0.76) ALDH1A1SMN1; SMN2LMNAMAPTALOX12
SCHEMBL24210088 0.90 KMT2A (0.83) ALDH1A1SMN1; SMN2LMNAMAPTALOX12
SCHEMBL24209749 0.89 KMT2A (0.82) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL24209874 0.89 NPSR1 (0.66) ALDH1A1SMN1; SMN2LMNAMAPTALOX12
SCHEMBL24209778 0.88 NPSR1 (0.67) ALDH1A1SMN1; SMN2LMNAMAPTALOX12
SCHEMBL24209661 0.85 MAPT (0.64) ALDH1A1SMN1; SMN2LMNAMAPTALOX12
SCHEMBL24209776 0.84 NPSR1 (0.77) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL24209696 0.83 NPSR1 (0.67) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL24019617 0.82 NPSR1 (0.71) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL24019574 0.81 HPGD (0.80) ALDH1A1LMNAMAPTKMT2AMEN1

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 ALDH1A1 967/4885SMN1; SMN2 4699/4885LMNA 4381/4885

“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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