SCHEMBL26213116

SCHEMBL26213116

[N-]=[N+]=NCC1CCN(CCNS(=O)(=O)Cc2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ SIGMAR1 Q99720 3/20 0.42
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ TSHR P16473 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34

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
SCHEMBL26213169 0.90 CYP3A4 (0.43) KDM1AHDAC6CARM1PRMT6TSHR
SCHEMBL26213111 0.89 L3MBTL1 (0.42) KDM1AHDAC6CARM1PRMT6ALDH1A1
SCHEMBL30270433 0.88 PRMT6 (0.43) KDM1AHDAC6SIGMAR1CARM1PRMT6
SCHEMBL26213120 0.88 PRMT6 (0.43) KDM1AHDAC6SIGMAR1CARM1PRMT6
SCHEMBL26213109 0.86 KDM1A (0.41) KDM1AHDAC6CARM1PRMT6SLC6A2
SCHEMBL30270456 0.82 CARM1 (0.43) KDM1AHDAC6CARM1PRMT6ALDH1A1
SCHEMBL26213112 0.82 CARM1 (0.43) KDM1AHDAC6CARM1PRMT6ALDH1A1
SCHEMBL26213173 0.77 SMN1; SMN2 (0.47) KDM1ASIGMAR1CARM1PRMT6KMT2A
SCHEMBL26213069 0.77 SIGMAR1 (0.44) KDM1ASIGMAR1KMT2A
SCHEMBL26213056 0.76 KDM1A (0.53) KDM1ASIGMAR1ALDH1A1HTR1AHTR7

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 KDM1A 859/4885HDAC6 203/4885SIGMAR1 3716/4885

“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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