SCHEMBL23055657

SCHEMBL23055657

CN1C(=O)/C(=C2/CCOCCN2)c2cc(N3CCCC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KIF11 P52732 5/20 0.35
MAPKAPK2 P49137 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DCLK1 O15075 1/20 0.34
MAPK7 Q13164 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ERCC1 P07992 1/20 0.34
DNASE1 P24855 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
RECQL P46063 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL23055388 0.86 MAPT (0.41) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055522 0.84 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055464 0.84 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23056005 0.82 NR1H2 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23055434 0.82 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055631 0.81 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055499 0.81 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055676 0.81 MEN1 (0.41) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055766 0.80 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055608 0.78 CASP1 (0.52) MAPTALDH1A1SMN1; SMN2RAB9A

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 MAPT 2505/4885ALDH1A1 1006/4885MEN1 3979/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 MAPT 2505/4885ALDH1A1 1006/4885MEN1 3979/4885

“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.