SCHEMBL12046510

SCHEMBL12046510

CCc1cc(-c2[nH]nc(S)c2-c2ccc(OC)c3c2ncn3C(C)C)c(O)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ CDK1 P06493 4/20 0.37
▸ CCNB2 O95067 3/20 0.37
▸ CCNB1 P14635 3/20 0.37
▸ CCNB3 Q8WWL7 3/20 0.37
▸ ALOX12 P18054 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSP90AA1 P07900 4/20 0.34
▸ MAPT P10636 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ CDK5 Q00535 2/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CCNE1 P24864 1/20 0.31

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
SCHEMBL12060325 0.90 HSP90AA1 (0.35) GAAMEN1KMT2AALOX12ALOX15
SCHEMBL1149360 0.85 MEN1 (0.38) GAAMEN1KMT2ACDK1CCNB2
SCHEMBL14609785 0.78 MEN1 (0.34) GAAMEN1KMT2AALOX12ALOX15
SCHEMBL16541250 0.76 KDM4E (0.44) GAAMEN1KMT2ACDK1CCNB2
SCHEMBL14525272 0.75 CCNB2 (0.35) GAAMEN1KMT2ACDK1CCNB2
SCHEMBL12908774 0.75 CCNB2 (0.35) GAAMEN1KMT2ACDK1CCNB2
SCHEMBL1148744 0.74 MEN1 (0.42) GAAMEN1KMT2AALOX12ALOX15
SCHEMBL1148187 0.74 MEN1 (0.40) GAAMEN1KMT2AALOX12ALOX15
SCHEMBL1147887 0.73 MEN1 (0.44) GAAMEN1KMT2AALOX12ALOX15
SCHEMBL1343875 0.73 GAA (0.39) GAAMEN1KMT2AALOX12ALOX15

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-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 — — US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 — — US disclosed
US-20110319404-A1 METHOD FOR TREATING NON-HODKIN'S LYMPHOMA SYNTA PHARMACEUTICALS CORP. 2011-12-29 — — 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-20110319404-A1 METHOD FOR TREATING NON-HODKIN'S LYMPHOMA HSP90AB1, HSP90AA1, HSP90B1 GAA 157/4885MEN1 4111/4885KMT2A 2805/4885

“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.

Send feedback