SCHEMBL5645643

SCHEMBL5645643

COC(=O)CCC1(c2ccccc2)C(=O)N(Cc2ccc3ccc(C=NN)cc3c2)C(=O)N1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.36
OPRL1 P41146 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
EP300 Q09472 4/20 0.34
ACP1 P24666 3/20 0.34
PTPN2 P17706 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 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
SCHEMBL5649416 0.92 MEN1 (0.37) PTPN1OPRL1MEN1CYP3A4CYP2D6
SCHEMBL5648860 0.91 PTPN1 (0.35) PTPN1KMT2AEP300ACP1PTPN2
SCHEMBL5648344 0.90 KMT2A (0.35) PTPN1MEN1KMT2AEP300ACP1
SCHEMBL5647692 0.86 PTPN1 (0.36) PTPN1KMT2AEP300ACP1PTPN2
SCHEMBL5648937 0.85 KMT2A (0.36) PTPN1MEN1KMT2AEP300ACP1
SCHEMBL5645636 0.84 F10 (0.38) OPRL1HDAC6
SCHEMBL6098666 0.82 OPRL1 (0.35) PTPN1OPRL1MEN1CYP3A4CYP2D6
SCHEMBL5650375 0.82 OPRL1 (0.35) PTPN1OPRL1MEN1CYP3A4CYP2D6
SCHEMBL5647778 0.82 PTPN1 (0.46) PTPN1OPRL1MEN1CYP3A4CYP2D6
SCHEMBL5650040 0.79 PTPN1 (0.45) PTPN1MEN1KMT2AACP1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199146-B2 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-03 US disclosed
US-20060142363-A1 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 US disclosed
US-7053112-B2 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-30 US disclosed
US-20040122073-A1 Imidazolidinedione analogs useful as anticoagulants and antihrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 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 (2 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-20040122073-A1 Imidazolidinedione analogs useful as anticoagulants and antihrombotics SERPINC1, F2, BDKRB1 PTPN1 1843/4885OPRL1 3903/4885MEN1 795/4885
US-20060142363-A1 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SERPINC1, F2, BDKRB1 PTPN1 1936/4885OPRL1 4078/4885MEN1 593/4885

“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.