SCHEMBL31459864

SCHEMBL31459864

CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Br)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 1.00
▸ MAPT P10636 8/20 1.00
▸ MEN1 O00255 8/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ ALDH1A1 P00352 5/20 0.68
▸ MCL1 Q07820 1/20 0.68
▸ LMNA P02545 1/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ TSHR P16473 4/20 0.67
▸ ALOX15 P16050 2/20 0.67
▸ GAA P10253 2/20 0.67
▸ KDM4E B2RXH2 3/20 0.66
▸ RECQL P46063 1/20 0.63
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ POLB P06746 2/20 0.61
▸ NTSR1 P30989 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ MITF O75030 1/20 0.60

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
SCHEMBL15172955 1.00 KMT2A (1.00) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL31459976 0.86 MAPT (0.75) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL3990785 0.82 KMT2A (0.69) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL2921771 0.81 MAPT (1.00) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL31459968 0.81 MAPT (1.00) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL31460309 0.80 MAPT (1.00) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL15184993 0.80 KMT2A (1.00) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL16521105 0.78 MAPT (0.78) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4298608 0.76 KDM4E (1.00) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL31673829 0.76 MEN1 (0.61) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250154163-A1 Pyrimidinone-Containing 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors ENANTA PHARMACEUTICALS, INC. 2025-05-15 — — US disclosed
WO-2025090868-A1 PYRIMIDINONE-CONTAINING 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2025-05-01 — — WO 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-20250154163-A1 Pyrimidinone-Containing 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors HSD17B13, HSD17B1, HSD11B1 KMT2A 3204/4885MAPT 3628/4885MEN1 1840/4885

“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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