SCHEMBL22988945

SCHEMBL22988945

c1ccc(-c2ccccc2-c2nc3ccccc3nc2-n2c3ccc4cccc5sc6cccc7ccc2c(c76)c3c45)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.33
ALDH1A1 P00352 7/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
LIMK1 P53667 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HTT P42858 1/20 0.31
MAPK8 P45983 2/20 0.31
MAPK9 P45984 2/20 0.31
MAPK10 P53779 2/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 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
SCHEMBL23031012 0.93 KDM4E (0.31) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22988940 0.90 CASP1 (0.40) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22988949 0.88 CASP1 (0.39) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL23030675 0.87 SMN1; SMN2 (0.35) KDM4EALDH1A1LMNAL3MBTL1HPGD
SCHEMBL22988942 0.87 CYP1A2 (0.35) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL23031028 0.86 CASP1 (0.36) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22988950 0.86 PDE10A (0.36) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL22988946 0.86 CYP1A2 (0.36)
SCHEMBL24596501 0.86 ALDH1A1 (0.35) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL23031029 0.85 CASP1 (0.35) KDM4EALDH1A1LMNAGAAL3MBTL1

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
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed
US-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2016-11-24 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 (1 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-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 KDM4E 568/4885ALDH1A1 1603/4885LMNA 4084/4885

“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.