SCHEMBL2725009

SCHEMBL2725009

Cc1n[nH]c(C)c1-c1ccc2c(Nc3cc(C(=O)O)cc(C(=O)O)c3)c(C(=O)NCc3cccc(C(=O)O)c3)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CSF1R P07333 7/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MCL1 Q07820 4/20 0.40
CREBBP Q92793 1/20 0.39
PKM P14618 1/20 0.39
PDE4B Q07343 1/20 0.39
BRD4 O60885 2/20 0.38
BRD2 P25440 2/20 0.38
BRD3 Q15059 2/20 0.38
LRRK2 Q5S007 1/20 0.38
CSNK2A2 P19784 1/20 0.38
KDR P35968 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL2725870 0.83 CYP3A4 (0.57) CSF1RCYP3A4CYP2C9LRRK2
SCHEMBL2723899 0.82 CYP3A4 (0.62) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2724054 0.82 CYP3A4 (0.59) CSF1RCYP3A4CYP2C9PDE4BLRRK2
SCHEMBL6391519 0.79 CYP3A4 (0.52) CSF1RCYP3A4CYP2C9LRRK2
SCHEMBL6394363 0.77 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2725774 0.77 CREBBP (0.49) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2723445 0.76 CYP3A4 (0.56) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL6395157 0.76 LDHA (0.61) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2723596 0.75 CYP3A4 (0.53) CSF1RCYP3A4CYP2C9LRRK2
SCHEMBL2724622 0.74 CYP3A4 (0.57) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP claimed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US claimed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 WO claimed
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 WO 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB KDM4E 1541/4885ALDH1A1 33/4885SMN1; SMN2 4267/4885

“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.