SCHEMBL25009218

SCHEMBL25009218

CCCN1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.77
▸ MAPT P10636 2/20 0.77
▸ HPGD P15428 10/20 0.69
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ KDM4E B2RXH2 3/20 0.55
▸ GAA P10253 3/20 0.55
▸ CACNA1B Q00975 1/20 0.54
▸ APBA1 Q02410 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL25009416 0.91 ALDH1A1 (0.76) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL25010300 0.83 ALDH1A1 (0.71) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL20467485 0.83 HPGD (0.97) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL25009697 0.82 MEN1 (0.72) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20467460 0.82 HPGD (1.00) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL15583893 0.82 HPGD (1.00) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL25010218 0.81 ALDH1A1 (0.76) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL20467418 0.80 HPGD (1.00) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL20467414 0.80 HPGD (0.77) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL20467484 0.80 HPGD (0.77) ALDH1A1MAPTHPGDKDM4EGAA

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 ALDH1A1 4286/4885MAPT 2111/4885HPGD 2428/4885

“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