SCHEMBL22898412

SCHEMBL22898412

CN1C(=O)c2cc(N)ccc2C12CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 4/20 0.38
CASP1 P29466 4/20 0.38
NPC1 O15118 3/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP7 P55210 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ANPEP P15144 2/20 0.36
DPP4 P27487 1/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CRBN Q96SW2 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
DDB1 Q16531 1/20 0.35
FTO Q9C0B1 1/20 0.35

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
SCHEMBL22898449 0.87 RAB9A (0.38) NR1H2NR1H3ALDH1A1RAB9ACASP1
SCHEMBL20672175 0.81 METAP1 (0.38) MEN1KMT2AKDM4EHRH3MAPT
SCHEMBL20078907 0.80 EGFR (0.40) NR1H2NR1H3ALDH1A1ANPEPDPP4
SCHEMBL20173597 0.74 AKR1B1 (0.40) CRBNDDB1HRH3
SCHEMBL21971012 0.74 S100A4 (0.42) MEN1KMT2AHRH3
SCHEMBL25452836 0.71 METAP1 (0.38) HRH3CYP3A4
SCHEMBL30976898 0.71 MEN1 (0.43) MEN1KMT2ACRBNDDB1BRD4
SCHEMBL21903270 0.70 NPC1 (0.40) ALDH1A1NPC1MEN1KMT2ACRBN
SCHEMBL7650360 0.70 NR1H2 (0.43) NR1H2NR1H3ALDH1A1RAB9ACASP1
SCHEMBL25171185 0.70 BACE1 (0.41) MEN1KMT2ACRBNDDB1BRD4

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-11312726-B2 Thienodiazepine derivatives and application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-04-26 US disclosed
US-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2021-01-21 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-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF BRD4, BRD3, BRD2 NR1H2 106/4885NR1H3 124/4885ALDH1A1 1724/4885
US-11312726-B2 Thienodiazepine derivatives and application thereof BRD4, BRD3, BRD2 NR1H2 106/4885NR1H3 124/4885ALDH1A1 1724/4885

“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.