SCHEMBL4132887

SCHEMBL4132887

COc1cnc(C=CC(=O)O)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 6/20 0.40
PKM P14618 2/20 0.40
SNCA P37840 2/20 0.40
CNKSR1 Q969H4 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CA9 Q16790 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL4132881 1.00 THRB (0.45) THRBATMKDM4EPKMSNCA
SCHEMBL15760082 0.84 BACE1 (0.38) THRBKDM4EPKMSNCACA12
SCHEMBL10314026 0.82 MAOB (0.46) KDM4ECNKSR1CA12CA1CA2
SCHEMBL10313821 0.82 MAOB (0.46) KDM4ECNKSR1CA12CA1CA2
SCHEMBL12094169 0.79 ALDH1A1 (0.37) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL13952611 0.78 XDH (0.36) THRBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3518547 0.76 NPSR1 (0.37) THRBKDM4ECA12CA1CA2
SCHEMBL4132784 0.76 PLAU (0.51) KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL3518552 0.76 NPSR1 (0.37) THRBKDM4ECA12CA1CA2
SCHEMBL4132779 0.76 PLAU (0.51) KDM4EALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 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 (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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 THRB 3857/4885ATM 4825/4885KDM4E 1732/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 THRB 3873/4885ATM 4830/4885KDM4E 1786/4885

“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.