SCHEMBL24209795

SCHEMBL24209795

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.76
▸ MEN1 O00255 5/20 0.76
▸ LMNA P02545 4/20 0.76
▸ CYP1A2 P05177 2/20 0.75
▸ CYP3A4 P08684 2/20 0.75
▸ CYP2C19 P33261 2/20 0.75
▸ MAPT P10636 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ POLB P06746 3/20 0.60
▸ MGAM O43451 3/20 0.55
▸ GAA P10253 3/20 0.55
▸ SI P14410 3/20 0.55
▸ MGAM2 Q2M2H8 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ TSHR P16473 1/20 0.54
▸ FZD7 O75084 1/20 0.54
▸ APEX1 P27695 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TDP1 Q9NUW8 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
SCHEMBL24209793 0.92 MEN1 (0.64) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL24209749 0.82 KMT2A (0.82) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL24209702 0.78 MEN1 (0.63) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL24209657 0.77 MAPT (0.82) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL24209779 0.77 KMT2A (0.76) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL24210198 0.77 KDM4E (0.64) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL24210088 0.75 KMT2A (0.83) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL24209876 0.75 KMT2A (0.83) KMT2AMEN1SMN1; SMN2POLBNPSR1
SCHEMBL24209703 0.74 ALDH1A1 (0.69) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL24019617 0.73 NPSR1 (0.71) KMT2AMEN1LMNACYP1A2CYP3A4

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 3702/4885LMNA 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.

Send feedback