SCHEMBL30597772

SCHEMBL30597772

COC(=O)c1cc2cc(OCCN3CCCC3)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ PSMB1 P20618 3/20 0.44
▸ PSMB5 P28074 3/20 0.44
▸ PSMB2 P49721 3/20 0.44
▸ FLT3 P36888 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ PDGFRB P09619 2/20 0.41
▸ PDGFRA P16234 1/20 0.41

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
SCHEMBL13291530 0.86 PSMB1 (0.48) KDM4EPSMB1PSMB5PSMB2FLT3
SCHEMBL29631943 0.80 L3MBTL1 (0.60) KDM4ENR1H2L3MBTL1
SCHEMBL19013605 0.80 L3MBTL1 (0.60) KDM4ENR1H2L3MBTL1
SCHEMBL28917884 0.79 PSMB1 (0.47) KDM4EPSMB1PSMB5PSMB2FLT3
SCHEMBL5481141 0.79 EPHX2 (0.46) —
SCHEMBL3043613 0.78 PSMB1 (0.49) KDM4EPSMB1PSMB5PSMB2FLT3
SCHEMBL13291514 0.78 BRD4 (0.49) KDM4EPDGFRBPDGFRA
SCHEMBL4821364 0.78 NR1H2 (0.44) NR1H2L3MBTL1
SCHEMBL6514090 0.77 MAOA (0.47) NR1H2L3MBTL1
SCHEMBL6520445 0.77 NR1H2 (0.45) KDM4EPOLBNR1H2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2026-01-29 — — US disclosed
EP-4504723-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2025-02-12 — — EP disclosed
WO-2023194458-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2023-10-12 — — 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-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER LDHA, LDHB, SLC6A1 KDM4E 3524/4885PSMB1 3474/4885PSMB5 2267/4885

“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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