SCHEMBL23055413

SCHEMBL23055413

O=C1/C(=C2/COCCN2)c2cc(NC3CCCC3)ccc2N1C1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
PRKCQ Q04759 3/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPK1 P28482 3/20 0.32
HPGD P15428 2/20 0.32
IP6K1 Q92551 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AR P10275 2/20 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
SCHEMBL23055624 0.98 PRKCQ (0.34) LMNAPTGS2PRKCQPRMT5WDR77
SCHEMBL23055862 0.96 PARP14 (0.32) PRKCQMAPK1PRMT5WDR77PARP14
SCHEMBL23055567 0.93 PRKCQ (0.35) PTGS2PRKCQPRMT5WDR77
SCHEMBL23055312 0.92 LMNA (0.33) LMNAPRKCQALDH1A1KDM4EHSD17B10
SCHEMBL23055349 0.92 PTGS2 (0.33) LMNAPTGS2PRKCQALDH1A1KDM4E
SCHEMBL23055903 0.92 PRMT5 (0.34) PRMT5WDR77
SCHEMBL23055399 0.91 PRKCQ (0.34) LMNAPTGS2PRKCQALDH1A1KDM4E
SCHEMBL23055393 0.91 PRMT5 (0.34) PRKCQMAPK1PRMT5WDR77PARP14
SCHEMBL23055516 0.91 RET (0.35) MAPK1PRMT5WDR77PARP14
SCHEMBL23055873 0.90 PRMT5 (0.34) LMNAPRKCQMAPK1PRMT5WDR77

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 LMNA 3295/4885PTGS2 851/4885PRKCQ 1025/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 LMNA 3295/4885PTGS2 851/4885PRKCQ 1025/4885

“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.