SCHEMBL26213153

SCHEMBL26213153

[N-]=[N+]=NCC1CCN(CCNS(=O)(=O)c2ccc(-c3cccnc3Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NEK1 Q96PY6 2/20 0.42
▸ HTR7 P34969 3/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SIGMAR1 Q99720 6/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM1A O60341 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
SCHEMBL26213160 0.90 HTR1A (0.45) NEK1HTR7HTR1ADRD2HTR6
SCHEMBL26213138 0.87 NEK1 (0.44) NEK1HTR7HTR1ADRD2HTR6
SCHEMBL30270474 0.87 NEK1 (0.44) NEK1HTR7HTR1ADRD2HTR6
SCHEMBL26213188 0.84 HTR1A (0.43) NEK1HTR7HTR1ADRD2HTR6
SCHEMBL26213178 0.84 HTR7 (0.47) NEK1HTR7HTR1ADRD2HTR6
SCHEMBL26213077 0.83 KDM1A (0.47) HTR7HTR1ADRD2HTR6KDM4E
SCHEMBL26213059 0.83 KMT2A (0.49) HTR7HTR1ASIGMAR1KDM1A
SCHEMBL26213157 0.82 HTR1A (0.48) HTR7HTR1ADRD2HTR6SIGMAR1
SCHEMBL26213183 0.81 HTR1A (0.43) NEK1HTR7HTR1ADRD2HTR6
SCHEMBL26213146 0.81 HTR1A (0.41) NEK1HTR7HTR1ADRD2HTR6

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 NEK1 288/4885HTR7 414/4885HTR1A 448/4885

“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.

Send feedback