SCHEMBL23055871

SCHEMBL23055871

O=C1/C(=C2/CCNCCN2)c2cc(N3CCCC3)ccc2N1C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CRBN Q96SW2 1/20 0.36
KIF11 P52732 10/20 0.34
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MELK Q14680 1/20 0.31

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
SCHEMBL23055875 0.86 MAPT (0.38) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055447 0.85 MAPT (0.37) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055509 0.85 MAPT (0.34) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055357 0.84 MAPT (0.35) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055601 0.84 DDB1 (0.33) ALDH1A1HSD17B10CRBNMAPK1
SCHEMBL23055358 0.84 CREBBP (0.37) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055661 0.82 MAPT (0.34) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055493 0.81 MAPT (0.39) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23055851 0.81 KIF11 (0.40) MAPTALDH1A1L3MBTL1KIF11NPSR1
SCHEMBL23055522 0.79 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1

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 2 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-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.