SCHEMBL4024481

SCHEMBL4024481

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL4026044 1.00 KIF11 (0.34) KIF11MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4028327 0.79 KMT2A (0.34) MEN1KMT2AALDH1A1RORC
SCHEMBL4020474 0.79 KMT2A (0.34) MEN1KMT2AALDH1A1RORC
SCHEMBL4778146 0.75 KIF11 (0.36) KIF11KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4774707 0.73 KIF11 (0.40) KIF11MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4774428 0.73 KMT2A (0.46) KIF11MEN1KMT2AALDH1A1
SCHEMBL4024300 0.73 KMT2A (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4025606 0.73 KMT2A (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4780182 0.73 KMT2A (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4795547 0.72 KIF11 (0.33) KIF11MEN1KMT2A

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 KIF11 3745/4885MEN1 77/4885KMT2A 2820/4885

“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.