SCHEMBL4026478

SCHEMBL4026478

CN(C)N1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
EPHX1 P07099 1/20 0.39
RORC P51449 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL4022028 0.83 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPT
SCHEMBL4019712 0.80 RORC (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4019710 0.80 RORC (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4024572 0.80 RORC (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4027487 0.79 HRH3 (0.45) KMT2AMEN1RORCALDH1A1MAPT
SCHEMBL4027493 0.79 HRH3 (0.45) KMT2AMEN1RORCALDH1A1MAPT
SCHEMBL4028249 0.79 HRH3 (0.45) KMT2AMEN1RORCALDH1A1MAPT
SCHEMBL4772338 0.79 HRH3 (0.45) KMT2AMEN1RORCALDH1A1MAPT
SCHEMBL13721498 0.79 HRH3 (0.45) KMT2AMEN1RORCALDH1A1MAPT
SCHEMBL4772340 0.77 KMT2A (0.48) KMT2AMEN1RORCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 77/4885CYP1A2 1563/4885

“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.