SCHEMBL25009667

SCHEMBL25009667

CCC1CCN(CCNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ KDM4E B2RXH2 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ GAA P10253 3/20 0.65
▸ HPGD P15428 3/20 0.65
▸ RAD52 P43351 2/20 0.65
▸ GALK1 P51570 1/20 0.65
▸ SLC6A2 P23975 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55
▸ NAMPT P43490 8/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ AKT1 P31749 1/20 0.51
▸ AKT2 P31751 1/20 0.51
▸ AKT3 Q9Y243 1/20 0.51

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
SCHEMBL25009208 0.86 MEN1 (0.98) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25009221 0.84 MEN1 (0.82) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25009697 0.82 MEN1 (0.72) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25009226 0.82 RAD52 (0.72) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25010296 0.80 KMT2A (0.71) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL20467544 0.80 ALDH1A1 (1.00) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL16495798 0.79 SLC6A2 (0.58) HPGDSLC6A2SLC6A4
SCHEMBL25011159 0.78 RAD52 (1.00) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25011151 0.78 RAD52 (0.87) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL20467453 0.78 ALDH1A1 (0.86) MEN1KMT2AKDM4EALDH1A1GAA

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 MEN1 2504/4885KMT2A 2885/4885KDM4E 2556/4885

“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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