SCHEMBL20793963

SCHEMBL20793963

Cc1coc2c(C)c(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 9/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CES1 P23141 1/20 0.33

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
SCHEMBL14444123 0.83 AHR (0.39) KCNA3SMN1; SMN2HSD17B10MAPTPOLB
SCHEMBL20793964 0.80 SMN1; SMN2 (0.53) KCNA3SMN1; SMN2PSMB5HSD17B10MAPT
SCHEMBL4419414 0.79 CES1 (0.39) KCNA3SMN1; SMN2HSD17B10MAPTPOLB
SCHEMBL22645755 0.77 TP53 (0.35) KCNA3SMN1; SMN2PSMB8PSMB5MAPT
SCHEMBL20793965 0.77 SMN1; SMN2 (0.35) KCNA3SMN1; SMN2HSD17B10POLBTHRB
SCHEMBL21387019 0.75 SMN1; SMN2 (0.38) KCNA3SMN1; SMN2HSD17B10POLBTSHR
SCHEMBL2095750 0.75 CYP1A2 (0.42) KCNA3PSMB8PSMB5MAPTPOLB
SCHEMBL12279309 0.75 HSD17B10 (0.38) KCNA3SMN1; SMN2HSD17B10MAPTTSHR
SCHEMBL20111022 0.75 HSD17B10 (0.38) KCNA3SMN1; SMN2HSD17B10MAPTTSHR
SCHEMBL4163346 0.73 AHR (0.39) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826723-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2023-10-18 — — EP disclosed
EP-3672977-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-06-22 — — EP disclosed
US-20210317145-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2021-10-14 — — US disclosed
WO-2020020858-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2020-01-30 — — WO disclosed
WO-2019038250-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2019-02-28 — — 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-20210317145-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 KCNA3 4266/4885SMN1; SMN2 980/4885PSMB8 10/4885

“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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