SCHEMBL23055504

SCHEMBL23055504

CN1C(=O)/C(=C2/COCCN2)c2cc(NC3CCC3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.36
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 2/20 0.32
MAPK7 Q13164 2/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
AR P10275 1/20 0.31
SYK P43405 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CDK9 P50750 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GFER P55789 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL23055404 0.88 MAPK13 (0.39) BRD4SYKPRMT5WDR77
SCHEMBL23055624 0.85 PRKCQ (0.34) PRKCQARLMNAPRMT5WDR77
SCHEMBL23055408 0.85 PTGS2 (0.33) PRKCQALDH1A1KDM4EHSD17B10AR
SCHEMBL23055433 0.85 PRKCQ (0.34) PRKCQARPRMT5WDR77
SCHEMBL23055406 0.84 DDB1 (0.35) ALDH1A1DDB1CRBNSYK
SCHEMBL23055567 0.84 PRKCQ (0.35) PRKCQPRMT5WDR77
SCHEMBL23055413 0.83 LMNA (0.33) PRKCQALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23055349 0.83 PTGS2 (0.33) PRKCQALDH1A1KDM4EHSD17B10AR
SCHEMBL23055399 0.82 PRKCQ (0.34) PRKCQALDH1A1KDM4EHSD17B10LMNA
SCHEMBL23055421 0.81 HRH3 (0.34) ALDH1A1MAPK1PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-20210061761-A1 MODULATORS OF COMPLEX I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-04 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 (2 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-20210061761-A1 MODULATORS OF COMPLEX I NDUFAB1, NDUFV1, NDUFB7 PRKCQ 1025/4885ALDH1A1 1006/4885KDM4E 3049/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 PRKCQ 1025/4885ALDH1A1 1006/4885KDM4E 3049/4885

“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.