SCHEMBL23368341

SCHEMBL23368341

COC(=O)C(CO)NC(=O)CNC(=O)Cn1ncc2cc(COC(=O)C(C)NC(=O)CNC(=O)Cn3ncc4ccccc43)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ FAP Q12884 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
SCHEMBL23368379 0.88 NPC1 (0.49) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL23368380 0.84 NPC1 (0.54) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL23368378 0.81 NPC1 (0.50) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL23368299 0.79 POLB (0.39) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL23368381 0.77 NPC1 (0.52) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL23368382 0.76 TSHR (0.51) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL23368311 0.75 NPC1 (0.55) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL23368310 0.74 NPC1 (0.51) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL31602336 0.67 KMO (0.56) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL22811132 0.66 MAPK1 (0.52) SMN1; SMN2TSHRHSD17B10ALDH1A1

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
EP-3411411-B3 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2022-01-26 — — EP disclosed
EP-3411411-B1 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2021-05-19 — — EP disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 — — 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-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 NPC1 2061/4885RAB9A 1729/4885POLB 2536/4885

“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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