SCHEMBL12636632

SCHEMBL12636632

CCOC(=O)Cn1c(Cl)cnc(Cl)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 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
SCHEMBL7409177 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EGSK3AGSK3BMEN1
SCHEMBL23460612 0.76 LMNA (0.41) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7139994 0.76 HSD17B10 (0.48) ALDH1A1KDM4EGSK3AGSK3BKMT2A
SCHEMBL23460733 0.75 F2 (0.39) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL12636575 0.75 FPR2 (0.46) ALDH1A1KDM4EGSK3AGSK3BMEN1
SCHEMBL21167187 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EGSK3AGSK3BMEN1
SCHEMBL23460615 0.72 F2 (0.61)
SCHEMBL5885705 0.72 KDM4E (0.49) ALDH1A1KDM4EGSK3AGSK3BMEN1
SCHEMBL7258197 0.71 MEN1 (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL23460858 0.71 KDM4E (0.48) ALDH1A1KDM4EGSK3AGSK3BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-05 US disclosed
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-05 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-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES TFPI, TFPI2, F2 ALDH1A1 669/4885KDM4E 3448/4885GSK3A 3238/4885

“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.