SCHEMBL26213193

SCHEMBL26213193

[N-]=[N+]=NCC1CCN(CCNS(=O)(=O)c2ccc(-c3c(F)cccc3C(F)(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.37
▸ HTR7 P34969 3/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ SRC P12931 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SIGMAR1 Q99720 6/20 0.36

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
SCHEMBL30270444 1.00 HTR1A (0.37) HTR1AHTR7DRD2HTR6KDM4E
SCHEMBL26213163 0.92 KDM4E (0.41) HTR1AHTR7DRD2HTR6KDM4E
SCHEMBL30270527 0.89 KDM4E (0.35) HTR1AHTR7DRD2HTR6KDM4E
SCHEMBL26213175 0.88 SRC (0.46) HTR1AHTR7DRD2HTR6KDM4E
SCHEMBL26213183 0.87 HTR1A (0.43) HTR1AHTR7DRD2HTR6KDM4E
SCHEMBL30270448 0.86 ADRA1A (0.43) HTR1AHTR7DRD2HTR6SIGMAR1
SCHEMBL26213178 0.84 HTR7 (0.47) HTR1AHTR7DRD2HTR6KDM4E
SCHEMBL26213063 0.83 EPHX2 (0.51) HTR7KDM1AHDAC6EPHX2SIGMAR1
SCHEMBL28971521 0.82 SRC (0.39) HTR1AHTR7DRD2HTR6KDM4E
SCHEMBL26213077 0.82 KDM1A (0.47) HTR1AHTR7DRD2HTR6KDM4E

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-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

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 414/4885DRD2 2606/4885

“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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