SCHEMBL23055684

SCHEMBL23055684

CNc1ccc2c(c1)/C(=C1\CCCN1)C(=O)N2C1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
PARP14 Q460N5 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
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
SCHEMBL23055646 0.84 CRBN (0.34) HSD17B10ALDH1A1LMNAMAPK1DDB1
SCHEMBL23055468 0.84 ALDH1A1 (0.34) HSD17B10ALDH1A1PARP14LMNA
SCHEMBL23055564 0.83 DDB1 (0.40) HSD17B10KDM4EALDH1A1HPGDDDB1
SCHEMBL23055873 0.81 PRMT5 (0.34) PARP14LMNAMAPK1
SCHEMBL23055312 0.81 LMNA (0.33) HSD17B10KDM4EALDH1A1HPGDPARP14
SCHEMBL23055863 0.81 DDB1 (0.39) ALDH1A1LMNADDB1CRBN
SCHEMBL23055595 0.81 DDB1 (0.38) HSD17B10KDM4EALDH1A1HPGDDDB1
SCHEMBL23055523 0.80 DDB1 (0.38) HSD17B10KDM4EALDH1A1HPGDDDB1
SCHEMBL23055579 0.79 DDB1 (0.38) HSD17B10KDM4EALDH1A1HPGDDDB1
SCHEMBL23055540 0.79 DDB1 (0.38) HSD17B10KDM4EALDH1A1HPGDLMNA

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 HSD17B10 250/4885KDM4E 3049/4885ALDH1A1 1006/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 HSD17B10 250/4885KDM4E 3049/4885ALDH1A1 1006/4885

“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.