SCHEMBL5645241

SCHEMBL5645241

CC1(c2ccccc2)C(=O)N(Cc2ccc3ccc(C=NN)cc3c2)C(=O)N1CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
PTPN1 P18031 3/20 0.34
ACP1 P24666 3/20 0.34
CTRB1 P17538 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GRM2 Q14416 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
AKR1B1 P15121 1/20 0.32
PTPN2 P17706 1/20 0.32
MEN1 O00255 3/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
S100A4 P26447 1/20 0.32
BRCA1 P38398 1/20 0.32
RECQL P46063 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5651384 0.94 AKR1B1 (0.37) KMT2APTPN1ACP1CTRB1GRM2
SCHEMBL5647793 0.91 OPRM1 (0.34) KMT2APTPN1ACP1CTRB1GRM2
SCHEMBL5650011 0.91 PTPN1 (0.33) KMT2APTPN1ACP1CTRB1GRM2
SCHEMBL5648950 0.89 HTR1A (0.35) PTPN1ACP1CTRB1GRM2HDAC6
SCHEMBL5645746 0.89 HTR1A (0.35) PTPN1ACP1CTRB1GRM2HDAC6
SCHEMBL5648086 0.89 CTRB1 (0.40) KMT2APTPN1ACP1CTRB1GRM2
SCHEMBL5646331 0.89 PTPN1 (0.34) KMT2APTPN1ACP1CTRB1GRM2
SCHEMBL5649247 0.88 PTPN1 (0.44) KMT2APTPN1ACP1CTRB1HDAC6
SCHEMBL5650848 0.87 CTRB1 (0.39) KMT2APTPN1ACP1CTRB1MEN1
SCHEMBL5653212 0.87 CYP1A2 (0.34) KMT2APTPN1ACP1CTRB1HDAC6

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-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

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-20060142363-A1 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SERPINC1, F2, BDKRB1 KMT2A 3939/4885PTPN1 1936/4885ACP1 2051/4885

“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.