SCHEMBL26213175

SCHEMBL26213175

[N-]=[N+]=NCC1CCN(CCNS(=O)(=O)c2ccc(-c3c(O)cccc3F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.46
▸ KDM1A O60341 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SIGMAR1 Q99720 6/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 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
SCHEMBL26213163 0.94 KDM4E (0.41) SRCKDM1AHDAC6KDM4EHTR1A
SCHEMBL26213211 0.89 SRC (0.42) SRCKDM1AHDAC6KDM4EHTR1A
SCHEMBL30270444 0.88 HTR1A (0.37) SRCKDM1AHDAC6KDM4EHTR1A
SCHEMBL26213193 0.88 HTR1A (0.37) SRCKDM1AHDAC6KDM4EHTR1A
SCHEMBL30270448 0.87 ADRA1A (0.43) HTR1ADRD2HTR7HTR6SIGMAR1
SCHEMBL26213178 0.85 HTR7 (0.47) KDM1AHDAC6KDM4EHTR1ADRD2
SCHEMBL26213188 0.85 HTR1A (0.43) SRCKDM1AHDAC6KDM4EHTR1A
SCHEMBL26213077 0.83 KDM1A (0.47) KDM1AKDM4EHTR1ADRD2HTR7
SCHEMBL28971553 0.82 ALDH1A1 (0.41) SRCKDM1AHDAC6KDM4EHTR1A
SCHEMBL26218354 0.82 ADRA1A (0.44) HTR1ADRD2HTR7HTR6SIGMAR1

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
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
EP-4175718-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 2023-05-10 — — EP 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 SRC 148/4885KDM1A 859/4885HDAC6 203/4885

“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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