SCHEMBL20522706

SCHEMBL20522706

O=C(Nc1ccc(F)c(C(=O)Cl)c1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.69
RAB9A P51151 7/20 0.69
KMT2A Q03164 6/20 0.62
MEN1 O00255 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HPGD P15428 1/20 0.56
KCNK3 O14649 5/20 0.56
KCNK9 Q9NPC2 4/20 0.56
PKM P14618 1/20 0.54
PTPN1 P18031 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMO Q99835 1/20 0.51
POLB P06746 1/20 0.51
SIRT1 Q96EB6 1/20 0.50
MAPT P10636 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
SCHEMBL20522825 0.88 NPC1 (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL20523146 0.85 KCNQ3 (0.62) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30740001 0.84 NPC1 (0.68) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL20522767 0.82 RAB9A (0.66) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8203978 0.82 RAB9A (1.00) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6853295 0.82 KMT2A (0.66) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL27474740 0.78 NPC1 (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30456589 0.78 NPC1 (0.77) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL28932427 0.78 SMN1; SMN2 (0.65) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4241801 0.78 NPC1 (0.68) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 NPC1 1497/4885RAB9A 3670/4885KMT2A 3757/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 NPC1 1497/4885RAB9A 3670/4885KMT2A 3757/4885

“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.