SCHEMBL23896376

SCHEMBL23896376

Cc1cc(-c2c(C(C)C)nc(Oc3ccc(C(=O)O)cc3)c3cc(O)ccc23)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
NR4A2 P43354 1/20 0.41
PDE10A Q9Y233 6/20 0.37
AMY1A P0DUB6 1/20 0.36
HAO1 Q9UJM8 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PTGER4 P35408 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
LMNA P02545 1/20 0.33
PORCN Q9H237 1/20 0.33

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
SCHEMBL23888012 0.87 RXRA (0.42) RXRANR4A2AMY1ANR1H4THRA
SCHEMBL30252022 0.82 PDE10A (0.39) RXRANR4A2PDE10AHAO1ROCK1
SCHEMBL23906116 0.82 RXRA (0.38) RXRANR4A2PDE10AHAO1ROCK2
SCHEMBL23906122 0.82 PDE10A (0.39) RXRANR4A2PDE10AHAO1ROCK1
SCHEMBL23896374 0.80 PTGER4 (0.40) RXRANR4A2AMY1APTGER4LMNA
SCHEMBL25545671 0.78 TLR8 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23896405 0.78 TLR8 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25544736 0.78 RXRA (0.43) RXRANR4A2NR1H4THRATHRB
SCHEMBL23896062 0.75 PPARG (0.42)
SCHEMBL23896305 0.75 THRA (0.39) NR1H4THRATHRB

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-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
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 RXRA 1652/4885NR4A2 2277/4885PDE10A 3701/4885

“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.