SCHEMBL4020474

SCHEMBL4020474

Cc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)CN(CCCN3CCN(C)CC3)C[C@@H]2c2[c]cccc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 2/20 0.34
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
RORC P51449 1/20 0.32
AVPR1B P47901 1/20 0.32

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
SCHEMBL4028327 1.00 KMT2A (0.34) KMT2AHTR2AHTR2CKCNH2MEN1
SCHEMBL4772529 0.87 KCNH2 (0.43) KMT2AKCNH2MEN1KDM4EALDH1A1
SCHEMBL4780151 0.87 KCNH2 (0.43) KMT2AKCNH2MEN1KDM4EALDH1A1
SCHEMBL4024481 0.79 KIF11 (0.34) KMT2AMEN1ALDH1A1RORC
SCHEMBL4026044 0.79 KIF11 (0.34) KMT2AMEN1ALDH1A1RORC
SCHEMBL4894830 0.78 POLB (0.44) KMT2AKCNH2MEN1KDM4EALDH1A1
SCHEMBL4795657 0.78 POLB (0.44) KMT2AKCNH2MEN1KDM4EALDH1A1
SCHEMBL4894834 0.78 POLB (0.44) KMT2AKCNH2MEN1KDM4EALDH1A1
SCHEMBL4022116 0.78 CYP2C9 (0.41) KMT2AHTR2AKCNH2MEN1ALDH1A1
SCHEMBL4775780 0.77 KCNH2 (0.40) KMT2AKCNH2ALDH1A1RORC

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 2 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 disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 KMT2A 2820/4885HTR2A 4141/4885HTR2C 3782/4885

“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.