SCHEMBL25544731

SCHEMBL25544731

Cc1ccc2c(-c3ccc(F)c(C)c3)c(C(C)CO)nc(OCC(=O)OCc3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.40
ACLY P53396 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FFAR1 O14842 1/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
AR P10275 1/20 0.31
SRC P12931 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL25183696 0.92 MEN1 (0.37) ACLYMEN1KMT2AKDM4EPOLB
SCHEMBL25544501 0.86 DHODH (0.44) DHODHACLYMEN1KMT2AKDM4E
SCHEMBL25544498 0.84 DHODH (0.41) DHODHACLYMEN1KMT2ASQOR
SCHEMBL23895984 0.81 TRPV3 (0.35) DHODHTRPV3FFAR1
SCHEMBL30121113 0.81 TRPV3 (0.35) DHODHTRPV3FFAR1
SCHEMBL23888032 0.78 MEN1 (0.37) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL23887852 0.78 MEN1 (0.40) ACLYMEN1KMT2AKDM4EPOLB
SCHEMBL23887853 0.76 MEN1 (0.38) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL23887753 0.73 FFAR1 (0.36) FFAR1
SCHEMBL25544473 0.72 KDM4E (0.40) DHODHKMT2ASQORKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 DHODH 379/4885ACLY 994/4885MEN1 2260/4885

“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.