SCHEMBL4021770

SCHEMBL4021770

COc1ccc(C2[C@@H](C(=O)c3ccccc3)CN(CC(=O)N(C)C)C[C@@H]2C(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
GRIN2B Q13224 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SLC18A3 Q16572 2/20 0.41
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL4021772 1.00 KMT2A (0.53) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL4019712 0.90 RORC (0.43) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL4019710 0.90 RORC (0.43) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL4024572 0.90 RORC (0.43) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL4021079 0.89 GRIN2B (0.45) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL4021076 0.89 GRIN2B (0.45) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL4018988 0.88 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL4020502 0.88 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL4018987 0.88 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL4021425 0.87 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2

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
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 KMT2A 2820/4885MEN1 77/4885ALDH1A1 258/4885

“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.