SCHEMBL23898527

SCHEMBL23898527

Cc1ccc2c(c1)c(C#N)c(Br)n2-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNG7 P62955 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNG1 Q06432 1/20 0.34
CACNB2 Q08289 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
SCHEMBL30337920 0.84 KDM4E (0.40) KDM4EPOLBLMNAALDH1A1HSD17B10
SCHEMBL23886667 0.84 KDM4E (0.40) KDM4EPOLBLMNAALDH1A1HSD17B10
SCHEMBL23886817 0.83 KDM4E (0.40) KDM4EPOLBLMNAALDH1A1CYP19A1
SCHEMBL30176370 0.83 KDM4E (0.40) KDM4EPOLBLMNAALDH1A1CYP19A1
SCHEMBL2313507 0.81 KDM4E (0.37) KDM4EPOLBLMNAALDH1A1CACNG8
SCHEMBL23886818 0.78 KDM4E (0.37) KDM4EMEN1KMT2A
SCHEMBL30176371 0.78 KDM4E (0.37) KDM4EMEN1KMT2A
SCHEMBL12721572 0.77 POLB (0.53) KDM4EPOLBCACNB4CACNA1ACACNA1G
SCHEMBL12362819 0.76 POLB (0.46) KDM4EPOLBPTGS2TP53CYP19A1
SCHEMBL23886968 0.74 AS3MT (0.54) MEN1KMT2A

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-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
WO-2021203007-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 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-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 KDM4E 4795/4885POLB 673/4885LMNA 1485/4885

“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.