SCHEMBL4022022

SCHEMBL4022022

Cc1cccc(C2[C@@H](C(=O)c3ccccc3)CN(CC(=O)N3CCOCC3)C[C@@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 4/20 0.42
LMNA P02545 4/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
FKBP1A P62942 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4022026 1.00 MEN1 (0.45) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4023694 0.89 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4021968 0.89 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4021223 0.89 KMT2A (0.42) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4021972 0.89 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4021226 0.89 KMT2A (0.42) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4020218 0.88 MAPT (0.39) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4020222 0.88 MAPT (0.39) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4780063 0.88 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4777781 0.88 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2KDM4ELMNA

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
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
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 MEN1 77/4885KMT2A 2820/4885SMN1; SMN2 3134/4885

“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.