SCHEMBL25009226

SCHEMBL25009226

CCN1CCN(CCCNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 2/20 0.72
▸ GALK1 P51570 1/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ KDM4E B2RXH2 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ NAMPT P43490 12/20 0.63
▸ LMNA P02545 1/20 0.62

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
SCHEMBL25009697 0.94 MEN1 (0.72) RAD52GALK1MEN1KMT2AKDM4E
SCHEMBL25011159 0.84 RAD52 (1.00) RAD52GALK1MEN1KMT2AKDM4E
SCHEMBL20467453 0.84 ALDH1A1 (0.86) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25009208 0.83 MEN1 (0.98) RAD52GALK1MEN1KMT2AKDM4E
SCHEMBL20467509 0.82 ALDH1A1 (0.84) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25009667 0.82 MEN1 (0.76) RAD52GALK1MEN1KMT2AKDM4E
SCHEMBL25009221 0.81 MEN1 (0.82) RAD52GALK1MEN1KMT2AKDM4E
SCHEMBL20467544 0.81 ALDH1A1 (1.00) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25010516 0.80 MEN1 (0.70) MEN1KMT2ANAMPT
SCHEMBL25009416 0.79 ALDH1A1 (0.76) RAD52GALK1MEN1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-02-09 — — 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-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY NFKBIA, IKBKB, NFKB2 RAD52 1175/4885GALK1 456/4885MEN1 2504/4885

“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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