SCHEMBL26213682

SCHEMBL26213682

[N-]=[N+]=NCC1CCN(CCNS(=O)(=O)N2CCC(c3ccccc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ OPRM1 P35372 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ SLC18A3 Q16572 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ KDM1A O60341 5/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL26213680 0.88 PRMT6 (0.50) CARM1PRMT6MEN1KMT2A
SCHEMBL26213676 0.85 DRD2 (0.33) OPRM1OPRK1DRD2HTR7KDM1A
SCHEMBL26213678 0.81 JAK2 (0.33) OPRM1OPRK1DRD2HTR7KDM1A
SCHEMBL26213056 0.81 KDM1A (0.53) OPRM1OPRK1HTR7KDM1ASIGMAR1
SCHEMBL26213080 0.78 SIGMAR1 (0.46) CARM1PRMT6OPRM1OPRK1KDM1A
SCHEMBL26213077 0.77 KDM1A (0.47) OPRM1OPRK1DRD2HTR7KDM1A
SCHEMBL26213100 0.75 KMT2A (0.48) CARM1PRMT6DRD2HTR7KDM1A
SCHEMBL30270494 0.73 HTR7 (0.54) DRD2BCHEHTR7
SCHEMBL26213066 0.73 L3MBTL1 (0.53) OPRM1OPRK1SIGMAR1MEN1KMT2A
SCHEMBL26213675 0.72 USP30 (0.51) CARM1PRMT6SLC18A3DRD2USP30

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 CARM1 2207/4885PRMT6 1779/4885OPRM1 2677/4885

“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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