SCHEMBL24210198

SCHEMBL24210198

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)NCc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.64
▸ ALDH1A1 P00352 5/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ KMT2A Q03164 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ MAPT P10636 2/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.58
▸ TSHR P16473 2/20 0.58
▸ ATM Q13315 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ HPGD P15428 2/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ALPL P05186 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ ALPG P10696 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ CYP1A2 P05177 1/20 0.54

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
SCHEMBL22010389 0.90 HPGD (0.69) ALDH1A1MAPK1KMT2AMEN1MAPT
SCHEMBL24209791 0.90 ALDH1A1 (0.66) ALDH1A1MAPK1KMT2AMEN1NPSR1
SCHEMBL21952078 0.88 ALDH1A1 (0.61) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL21952070 0.88 MEN1 (0.61) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL31396394 0.88 MEN1 (0.61) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL24210197 0.87 ALDH1A1 (0.83) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL24209749 0.85 KMT2A (0.82) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL21952099 0.84 NPSR1 (0.56) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL16268464 0.83 TSHR (0.80) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL24209657 0.83 MAPT (0.82) KDM4EALDH1A1MAPK1KMT2AMEN1

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 KDM4E 1511/4885ALDH1A1 967/4885MAPK1 762/4885

“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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