SCHEMBL23056005

SCHEMBL23056005

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
RAF1 P04049 1/20 0.34
CASP3 P42574 2/20 0.33
MAPT P10636 2/20 0.33
ATAD2 Q6PL18 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIM1 P11309 2/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL23055886 0.89 NR1H2 (0.45) NR1H2NR1H3RAF1CASP3MAPT
SCHEMBL23055854 0.85 NR1H2 (0.32) NR1H2NR1H3RAF1MAPTATAD2
SCHEMBL23055766 0.84 ALDH1A1 (0.44) CASP3MAPTGAAMEN1ALDH1A1
SCHEMBL23055657 0.82 MAPT (0.49) MAPTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL23055608 0.82 CASP1 (0.52) NR1H2NR1H3CASP3MAPTGAA
SCHEMBL23055866 0.82 CRBN (0.34) MAPTGAASMN1; SMN2ALDH1A1DDB1
SCHEMBL23055396 0.75 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL23055997 0.74 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL23055547 0.73 ALDH1A1 (0.45) CASP3MAPTMEN1ALDH1A1HPGD
SCHEMBL23055646 0.73 CRBN (0.34) MAPTGAASMN1; SMN2ALDH1A1DDB1

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 NR1H2 385/4885NR1H3 685/4885RAF1 3338/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 NR1H2 385/4885NR1H3 685/4885RAF1 3338/4885

“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.