SCHEMBL24209702

SCHEMBL24209702

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1nccs1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ MAPT P10636 4/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ HPGD P15428 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ TSHR P16473 1/20 0.56
▸ POLB P06746 3/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ RAB9A P51151 1/20 0.53
▸ MAPK1 P28482 1/20 0.52

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 0.82 KMT2A (0.76) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24210088 0.81 KMT2A (0.83) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24209703 0.80 ALDH1A1 (0.69) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24209793 0.80 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL24019617 0.79 NPSR1 (0.71) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24209697 0.78 ALDH1A1 (0.82) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL24209749 0.78 KMT2A (0.82) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL24209903 0.77 NPSR1 (0.68) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL24209776 0.77 NPSR1 (0.77) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL15113519 0.77 ALDH1A1 (0.62) MEN1KMT2AMAPTALDH1A1HPGD

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 MEN1 3702/4885KMT2A 2532/4885MAPT 3296/4885

“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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