SCHEMBL4277563

SCHEMBL4277563

CSc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCC(NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
MITF O75030 1/20 0.41
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 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
SCHEMBL14303443 1.00 NPC1 (0.52) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL13608618 1.00 NPC1 (0.52) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL13608650 1.00 NPC1 (0.52) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL14303442 0.90 NPC1 (0.45) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL4679371 0.89 NPC1 (0.42) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL4679376 0.89 NPC1 (0.42) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL14310537 0.89 NPC1 (0.57) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL4270872 0.88 F10 (0.43) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4270170 0.88 F10 (0.43) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4270173 0.88 F10 (0.43) 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-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
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.