SCHEMBL10053590

SCHEMBL10053590

CCOC(=O)C1Nc2ccc(C)cc2C2C=CCC12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.80
KMT2A Q03164 8/20 0.80
MEN1 O00255 7/20 0.80
L3MBTL1 Q9Y468 4/20 0.78
GAA P10253 2/20 0.78
HSPA1A P0DMV8 10/20 0.72
PTPN7 P35236 10/20 0.72
GAPDH P04406 6/20 0.72
ALDH1A1 P00352 3/20 0.72
BLM P54132 3/20 0.72
KDM4E B2RXH2 2/20 0.72
MAPT P10636 2/20 0.72
HPGD P15428 2/20 0.72
ALOX15 P16050 2/20 0.72
BRCA1 P38398 2/20 0.72
RECQL P46063 2/20 0.72
HSD17B10 Q99714 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
APEX1 P27695 1/20 0.72
MASP2 O00187 3/20 0.65

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
SCHEMBL6215376 0.89 POLB (0.77) POLBKMT2AMEN1L3MBTL1GAA
SCHEMBL26458981 0.88 KMT2A (1.00) POLBKMT2AMEN1L3MBTL1GAA
SCHEMBL23949487 0.88 KMT2A (1.00) POLBKMT2AMEN1L3MBTL1GAA
SCHEMBL10022369 0.88 POLB (0.75) POLBKMT2AMEN1L3MBTL1GAA
SCHEMBL2116528 0.84 PTPN7 (1.00) POLBKMT2AMEN1L3MBTL1GAA
SCHEMBL1066515 0.79 PTPN7 (1.00) POLBKMT2AMEN1L3MBTL1GAA
SCHEMBL13856706 0.79 PTPN7 (1.00) POLBKMT2AMEN1L3MBTL1GAA
SCHEMBL15321796 0.76 AR (0.58) POLBKMT2AMEN1L3MBTL1GAA
SCHEMBL15321060 0.75 AR (0.57) POLBKMT2AMEN1L3MBTL1GAA
SCHEMBL6085506 0.75 GAPDH (0.69) POLBKMT2AMEN1L3MBTL1GAA

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
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA POLB 2716/4885KMT2A 3143/4885MEN1 1338/4885

“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.