SCHEMBL4274262

SCHEMBL4274262

CSc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCCN)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
KDM4E B2RXH2 3/20 0.61
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
MITF O75030 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
F10 P00742 10/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4278800 0.96 NPC1 (0.60) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL13608582 0.90 NPC1 (0.58) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4269627 0.89 NPC1 (0.57) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4282173 0.88 NPC1 (0.49) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL13608691 0.87 NPC1 (0.64) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL3157562 0.87 NPC1 (0.66) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4279973 0.87 NPC1 (0.55) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL13620436 0.86 NPC1 (0.51) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4268954 0.86 NPC1 (0.54) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4270645 0.86 F10 (0.45) NPC1RAB9AKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
EP-1644334-B1 ANTITHROMBOTIC ETHERS LILLY CO ELI (US) 2008-01-02 EP disclosed
EP-1644334-A1 ANTITHROMBOTIC ETHERS Eli Lilly and Company (US) 2006-04-12 EP disclosed
WO-2004108677-A1 ANTITHROMBOTIC ETHERS ELI LILLY AND COMPANY (US) 2004-12-16 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-20080108594-A1 Antithrombotic Ethers F11, SERPINC1, F2 NPC1 1622/4885RAB9A 2540/4885KDM4E 2602/4885

“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.