SCHEMBL4272045

SCHEMBL4272045

CSc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCCCN2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 1/20 0.53
TRPV4 Q9HBA0 1/20 0.50
F10 P00742 7/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
EGFR P00533 1/20 0.43
F2 P00734 1/20 0.43
EPHX2 P34913 3/20 0.42
MITF O75030 1/20 0.41
MET P08581 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 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
SCHEMBL4272052 0.91 TRPV4 (0.54) TRPV4F10HTTHTR2AHTR2C
SCHEMBL4274332 0.88 TRPV4 (0.51) TRPV4F10HTR2AHTR2CEGFR
Hydrochloric Acid SCHEMBL4269655 0.87 TRPV4 (0.51) TRPV4F10HTR2AHTR2CEGFR
SCHEMBL4278800 0.86 NPC1 (0.60) NPC1RAB9AKDM4EF10KMT2A
SCHEMBL4274262 0.85 NPC1 (0.61) NPC1RAB9AKDM4EF10KMT2A
SCHEMBL4269627 0.84 NPC1 (0.57) NPC1RAB9AKDM4EF10KMT2A
SCHEMBL4268954 0.81 NPC1 (0.54) NPC1RAB9AKDM4EF10KMT2A
SCHEMBL13608543 0.81 MET (0.47) TRPV4F10F2MET
SCHEMBL13608691 0.81 NPC1 (0.64) NPC1RAB9AKDM4EF10KMT2A
Hydrochloric Acid SCHEMBL4274524 0.81 MET (0.46) TRPV4F10F2MET

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 5 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
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.