SCHEMBL25544674

SCHEMBL25544674

Cc1ccc2c(I)c(C3CCOCC3)oc(=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.37
ELANE P08246 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PRKDC P78527 1/20 0.36
C1R P00736 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
PDE1C Q14123 2/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL25544673 0.78 ALDH1A1 (0.38) NPC1RAB9AALDH1A1KDM4EPDE1A
SCHEMBL25544600 0.72 ELANE (0.41) PARP14ELANENPC1RAB9APRKDC
SCHEMBL25544578 0.69 ELANE (0.42) ELANEC1RALDH1A1KDM4ELMNA
SCHEMBL31035561 0.67 RORC (0.49) NPC1RAB9APRKDCHSD17B10ALDH1A1
SCHEMBL26768372 0.64 MAOB (0.51) NPC1RAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL862799 0.62 PDE2A (0.56) ELANENPC1RAB9AALDH1A1KDM4E
SCHEMBL15119624 0.62 ELANE (0.49) ELANENPC1C1RALDH1A1KDM4E
SCHEMBL30889641 0.61 ALPG (0.46) NPC1RAB9APRKDCHSD17B10ALDH1A1
SCHEMBL28325015 0.60 ELANE (0.46) ELANEC1RALDH1A1KDM4ELMNA
SCHEMBL10212287 0.60 SLC18A3 (0.43) ALDH1A1LMNAMAPTPDE1APDE1B

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 PARP14 1621/4885ELANE 73/4885NPC1 442/4885

“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.