SCHEMBL23887887

SCHEMBL23887887

Fc1ccc(-c2c(C3CCOCC3)nc([N+]34CCN(CC3)CC4)c3cc(OCc4ccccc4)ccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.37
PRKDC P78527 4/20 0.36
ALOX5 P09917 2/20 0.36
FDFT1 P37268 1/20 0.36
PRMT5 O14744 1/20 0.35
RORC P51449 2/20 0.35
PRKAA2 P54646 1/20 0.35
APOL1 O14791 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
NME2 P22392 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL23887860 0.92 PARP14 (0.36) PARP14PRKDCFDFT1PRMT5ANO1
SCHEMBL23887776 0.90 FFAR1 (0.37) PARP14PRKDCFDFT1PRMT5NME2
SCHEMBL23887752 0.87 CNR1 (0.36) PARP14PRKDCALOX5FDFT1KDM4E
SCHEMBL23887873 0.83 PARP14 (0.41) PARP14PRKDCALOX5FDFT1PRMT5
SCHEMBL25544271 0.81 HPGD (0.32) PRKAA2KDM4EALDH1A1HPGDTSHR
SCHEMBL25556646 0.81 ANO1 (0.45) PARP14ALOX5RORCAPOL1ANO1
SCHEMBL23887854 0.81 HRH3 (0.38) ALOX5ANO1
SCHEMBL25205470 0.79 GRM2 (0.36) PRKDCPRMT5
SCHEMBL25183695 0.78 GRM2 (0.36) PRMT5
SCHEMBL23887703 0.78 ANO1 (0.39) PARP14ALOX5RORCAPOL1ANO1

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 6 patents. 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
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
EP-4126819-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 (US) 2023-02-08 EP disclosed
CN-115697969-A 7-or 8-hydroxy-isoquinoline and 7-or 8-hydroxy-quinoline derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-03 CN disclosed
WO-2021203028-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 (US) 2021-10-07 WO disclosed
WO-2021203028-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 (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-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 PARP14 1621/4885PRKDC 4039/4885ALOX5 2808/4885

“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.