SCHEMBL23947101

SCHEMBL23947101

COc1cc(Cl)ccc1-c1c(N)cncc1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AMY1A P0DUB6 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AGPAT2 O15120 6/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
RECQL P46063 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAP2 P11137 1/20 0.34

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
SCHEMBL23946769 0.80 ALDH1A1 (0.45) HSP90AA1HSP90AB1ALDH1A1KDM4EPOLB
SCHEMBL23947502 0.75 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A
SCHEMBL23947001 0.75 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1KDM4EAGPAT2
SCHEMBL25608260 0.72 KDM4E (0.38) HSP90AA1HSP90AB1KDM4ENPC1MAPT
SCHEMBL23947579 0.72 CYP1A1 (0.40) HSP90AA1HSP90AB1ALDH1A1KDM4EPOLB
SCHEMBL29359707 0.71 TRPV4 (0.50) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A
SCHEMBL585492 0.71 TRPV4 (0.50) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A
Magnesium SCHEMBL30697198 0.69 TRPV4 (0.48) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A
SCHEMBL23947203 0.69 CYP1A2 (0.44) HSP90AA1HSP90AB1POLBL3MBTL1
SCHEMBL19802986 0.69 KMT2A (0.39) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A

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-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
WO-2021210911-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-10-21 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 (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-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY2, CYBA, AHR HSP90AA1 4526/4885HSP90AB1 4323/4885ALDH1A1 484/4885

“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.