SCHEMBL1073500

SCHEMBL1073500

COC(=O)c1ccc(C(=O)Nc2cc(Cl)n3nc(C)cc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL1524032 0.88 MAPK1 (0.46) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL1523962 0.86 MAP3K5 (0.54) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1523956 0.86 TRPV1 (0.44) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL1074216 0.85 NPC1 (0.46) NPC1RAB9AGAAKMT2AKDM4E
SCHEMBL1017496 0.85 MAP3K5 (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1523925 0.84 ORAI1 (0.43) NPC1RAB9AKMT2AKDM4ELMNA
SCHEMBL1071485 0.84 POLB (0.42) NPC1GAAKMT2AKDM4ELMNA
SCHEMBL1524613 0.82 MAP3K5 (0.46) KMT2AMEN1POLBCHRNB2CHRNB4
SCHEMBL13298007 0.81 ALDH1A1 (0.49) NPC1RAB9AGAAKMT2AKDM4E
SCHEMBL12838092 0.79 NPC1 (0.43) NPC1RAB9AGAAKMT2AKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 — — US disclosed
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 — — US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 — — US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 — — US disclosed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 — — US disclosed
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 — — EP disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 — — WO disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 — — 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-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD NPC1 2057/4885RAB9A 3465/4885GAA 2943/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD NPC1 1900/4885RAB9A 3479/4885GAA 3010/4885

“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.

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