SCHEMBL24209689

SCHEMBL24209689

O=C(O)c1ccc(-n2nnnc2SC2(C(=O)NCc3cccc(N4CCOCC4)c3)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SRC P12931 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ KLKB1 P03952 1/20 0.38
▸ KLK1 P06870 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CPB1 P15086 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ MYC P01106 1/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL30278750 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21952085 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21952086 0.78 LMNA (0.38) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL30278743 0.78 LMNA (0.38) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21952039 0.74 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL30278757 0.74 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL29798314 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21952006 0.72 HPGD (0.47) ALDH1A1KMT2AMEN1MAPK1ERCC1
SCHEMBL30278755 0.72 HPGD (0.47) ALDH1A1KMT2AMEN1MAPK1ERCC1
SCHEMBL18394573 0.70 PRKDC (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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 4699/4885SRC 528/4885

“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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