SCHEMBL16801600

SCHEMBL16801600

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c4oc5c(-c6ccccc6)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6cccc(c7cccc3c47)c65)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL18159582 0.97 MEN1 (0.38) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL16800976 0.85 HPGD (0.40) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL17563618 0.83 ALDH1A1 (0.41) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL21343772 0.82 MAPT (0.47) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL25557461 0.81 MAPT (0.39) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL25557631 0.80 TSHR (0.37) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL24264024 0.80 MAPT (0.46) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL30103566 0.80 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL20871989 0.80 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL17425632 0.80 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-20190280218-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2019-09-12 US disclosed
US-10374170-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2019-08-06 US disclosed
US-20160308146-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20160308146-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
WO-2015082046-A2 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2015-06-11 WO 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 (4 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-11917913-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885MAPT 1547/4885HPGD 907/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885MAPT 1547/4885HPGD 907/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885MAPT 1547/4885HPGD 907/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885MAPT 1547/4885HPGD 907/4885

“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.