SCHEMBL26110482

SCHEMBL26110482

O=C(O)c1cc2ccc(OCCN3CCCC3)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.54
KDM4E B2RXH2 6/20 0.53
POLB P06746 2/20 0.53
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
LTA4H P09960 1/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAOB P27338 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.48
ESR1 P03372 1/20 0.47

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
SCHEMBL26109150 0.94 KDM4E (0.55) TBXAS1KDM4EPOLBNPC1RAB9A
SCHEMBL26107479 0.85 KDM4E (0.51) KDM4EPOLBDRD2DRD3PDE3B
SCHEMBL31207854 0.85 KDM4E (0.51) KDM4EPOLBDRD2DRD3PDE3B
SCHEMBL31207847 0.84 TBXAS1 (0.58) TBXAS1KDM4EPOLBNPC1RAB9A
SCHEMBL26109906 0.84 TBXAS1 (0.58) TBXAS1KDM4EPOLBNPC1RAB9A
SCHEMBL26110143 0.80 TBXAS1 (0.52) TBXAS1ALDH1A1GAA
SCHEMBL5559862 0.80 TBXAS1 (0.59) TBXAS1KDM4EDRD2DRD3LTA4H
SCHEMBL31207864 0.80 HRH3 (0.57) KDM4EALDH1A1MAOBHRH3
SCHEMBL26110028 0.80 HRH3 (0.57) KDM4EALDH1A1MAOBHRH3
SCHEMBL31207870 0.78 TBXAS1 (0.49) TBXAS1KDM4EPOLBDRD2DRD3

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
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
CN-118974040-A N- (3- (benzo [ B ] thiophen-2-amido) -phenyl) -2, 3-dihydrobenzo [ B ] [1,4] dioxin-6-amide derivatives and related compounds as lactic acid/ATP production inhibitors for the treatment of cancer 威马特股份公司 2024-11-15 CN 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
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 TBXAS1 1749/4885KDM4E 3524/4885POLB 675/4885

“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.