SCHEMBL20522702

SCHEMBL20522702

COC(=O)c1cc(NC(=O)c2ccc(F)c(F)c2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.56
KCNQ2 O43526 4/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ATM Q13315 1/20 0.52
KCNE1 P15382 1/20 0.52
KCNQ1 P51787 1/20 0.52
MAOB P27338 3/20 0.51
LMNA P02545 2/20 0.51
KCNQ5 Q9NR82 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL20522767 0.86 RAB9A (0.66) NPC1RAB9AATMLMNAKDM4E
SCHEMBL20523023 0.84 NPC1 (0.62) KCNQ3KCNQ2NPC1RAB9AKCNE1
SCHEMBL20523146 0.82 KCNQ3 (0.62) KCNQ3KCNQ2NPC1RAB9AKCNE1
SCHEMBL17465706 0.81 NPC1 (0.62) KCNQ3KCNQ2NPC1RAB9AKCNE1
SCHEMBL1641874 0.80 RAB9A (0.62) NPC1RAB9ALMNAMEN1MAPT
SCHEMBL27471350 0.79 ALDH1A1 (0.49) NPC1RAB9ALMNACASP3SENP7
SCHEMBL8361564 0.77 NPC1 (0.68) KCNQ3KCNQ2NPC1RAB9AKCNE1
SCHEMBL24670265 0.77 GRM4 (0.55) KCNQ3KCNQ2NPC1RAB9AKCNE1
SCHEMBL6813527 0.77 MEN1 (0.57) KCNQ3KCNQ2NPC1RAB9AKCNE1
SCHEMBL4261271 0.77 KMT2A (0.47) ATMMAOBLMNACASP3SENP7

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-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
US-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS PHARMAKEA, INC. 2020-02-13 US disclosed
US-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS PHARMAKEA, INC. 2020-02-13 US disclosed
EP-3601250-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS Pharmakea, Inc. (US) 2020-02-05 EP disclosed
WO-2018183122-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2018-10-04 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 (2 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-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS BAX, BAD, BCL2 KCNQ3 4674/4885KCNQ2 4624/4885NPC1 1497/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 KCNQ3 4674/4885KCNQ2 4624/4885NPC1 1497/4885

“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.