SCHEMBL5646331

SCHEMBL5646331

CC1(c2ccccc2)C(=O)N(Cc2ccc3ccc(C=NN)cc3c2)C(=O)N1CCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.34
ACP1 P24666 3/20 0.34
HDAC6 Q9UBN7 2/20 0.32
AKR1B1 P15121 1/20 0.32
CTRB1 P17538 1/20 0.32
PTPN2 P17706 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 1/20 0.31
GRM2 Q14416 3/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5653212 0.95 CYP1A2 (0.34) PTPN1ACP1HDAC6AKR1B1CTRB1
SCHEMBL5647961 0.94 HTR1A (0.33) PTPN1ACP1HDAC6AKR1B1CTRB1
SCHEMBL5647793 0.94 OPRM1 (0.34) PTPN1ACP1HDAC6CTRB1PTPN2
SCHEMBL5650645 0.93 HTR1A (0.35) PTPN1ACP1KMT2ACYP1A2HTT
SCHEMBL5646512 0.93 HTR1A (0.35) PTPN1ACP1KMT2ACYP1A2HTT
SCHEMBL5650011 0.91 PTPN1 (0.33) PTPN1ACP1HDAC6CTRB1PTPN2
SCHEMBL5651384 0.91 AKR1B1 (0.37) PTPN1ACP1HDAC6AKR1B1CTRB1
SCHEMBL5653161 0.91 KMT2A (0.35) PTPN1ACP1PTPN2KMT2AALDH1A1
SCHEMBL5648950 0.90 HTR1A (0.35) PTPN1ACP1HDAC6CTRB1GRM2
SCHEMBL5645746 0.90 HTR1A (0.35) PTPN1ACP1HDAC6CTRB1GRM2

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 1843/4885ACP1 1675/4885HDAC6 172/4885
US-20060142363-A1 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SERPINC1, F2, BDKRB1 PTPN1 1936/4885ACP1 2051/4885HDAC6 501/4885

“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.