SCHEMBL26213157

SCHEMBL26213157

COc1ccccc1-c1ccc(S(=O)(=O)NCCN2CCC(CN=[N+]=[N-])CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.48
▸ HTR7 P34969 5/20 0.48
▸ HTR6 P50406 3/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ ADRA1A P35348 3/20 0.47
▸ ADRA1B P35368 3/20 0.47
▸ HTR2A P28223 2/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ SRC P12931 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ DRD4 P21917 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL26218354 0.91 ADRA1A (0.44) HTR1AHTR7HTR6DRD2ADRA1A
SCHEMBL28971561 0.89 ADRA1A (0.49) HTR1AHTR7HTR6DRD2ADRA1A
SCHEMBL26213171 0.89 HTR1A (0.42) HTR1AHTR7HTR6DRD2ADRA1A
SCHEMBL26213178 0.87 HTR7 (0.47) HTR1AHTR7HTR6DRD2SIGMAR1
SCHEMBL26213188 0.87 HTR1A (0.43) HTR1AHTR7HTR6DRD2SRC
SCHEMBL30270448 0.87 ADRA1A (0.43) HTR1AHTR7HTR6DRD2ADRA1A
SCHEMBL26213077 0.86 KDM1A (0.47) HTR1AHTR7HTR6DRD2SLC6A4
SCHEMBL26213166 0.86 HTR1A (0.41) HTR1AHTR7HTR6DRD2SIGMAR1
SCHEMBL26213183 0.85 HTR1A (0.43) HTR1AHTR7HTR6DRD2SRC
SCHEMBL26213146 0.85 HTR1A (0.41) HTR1AHTR7HTR6DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115843271-B Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2024-08-13 — — CN disclosed
US-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-09-07 — — US disclosed
US-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-09-07 — — US disclosed
CN-115843271-A Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2023-03-24 — — CN 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-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER CSNK2A1, IDO1, CSNK2A3 HTR1A 448/4885HTR7 414/4885HTR6 322/4885

“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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