SCHEMBL6728993

SCHEMBL6728993

O=C(CC1CN(S(=O)(=O)C=Cc2ccc(Cl)cc2O)CC(CC(=O)N2CCOCC2)N1c1ncc(-c2ccncc2)cn1)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.36
F10 P00742 4/20 0.35
F2 P00734 1/20 0.35
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 3/20 0.34
ITGB2 P05107 3/20 0.33
ICAM1 P05362 3/20 0.33
ITGAL P20701 3/20 0.33
LMNA P02545 1/20 0.33
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
GRIN2B Q13224 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6781804 1.00 ENPP2 (0.36) ENPP2F10F2KCNH2KMT2A
SCHEMBL6726791 0.85 F10 (0.32) F10KMT2ALMNAGRIN2BKDM4E
SCHEMBL6729435 0.85 F10 (0.33) ENPP2F10KMT2AKDM4EMEN1
SCHEMBL6729436 0.85 F10 (0.33) ENPP2F10KMT2AKDM4EMEN1
SCHEMBL6726790 0.85 F10 (0.32) F10KMT2ALMNAGRIN2BKDM4E
SCHEMBL6730350 0.84 PDGFRB (0.31) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL6726784 0.80 F10 (0.47) F10F2KCNH2KMT2AMEN1
SCHEMBL6730348 0.79 CYP17A1 (0.35) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL6730354 0.79 CYP17A1 (0.35) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL6730980 0.78 F10 (0.55) F10F2KCNH2

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
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 ENPP2 1719/4885F10 19/4885F2 1/4885

“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.