SCHEMBL10189773

SCHEMBL10189773

COc1cc(-c2[nH]nnc2-c2cc(C)c3c(c2)OCO3)cc(O[PH](=O)O)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.37
EDNRA P25101 2/20 0.37
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34

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
SCHEMBL10189748 0.84 BRD4 (0.36) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL10189776 0.82 KDM4E (0.31) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL10189774 0.82 ALDH1A1 (0.36) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL10189780 0.82 MEN1 (0.36) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL10189761 0.79 ALDH1A1 (0.34) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL13041140 0.79 ALDH1A1 (0.40) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL410750 0.78 ALDH1A1 (0.39) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL410751 0.77 ALDH1A1 (0.40) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL14619083 0.76 KDM4E (0.43) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL10189768 0.76 MAPT (0.36) EDNRBEDNRAKDM4EALDH1A1MAPT

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-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 EDNRB 519/4885EDNRA 987/4885KDM4E 2492/4885

“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.