SCHEMBL4019979

SCHEMBL4019979

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCN(S(=O)(=O)N(C)C)C2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.33
F12 P00748 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 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
SCHEMBL4022671 0.90 NPSR1 (0.39) KMT2AKDM4EL3MBTL1MGLLF12
SCHEMBL4022170 0.88 NPSR1 (0.42) LMNAKMT2ARAB9AKDM4EL3MBTL1
SCHEMBL4749392 0.86 MGLL (0.36) KMT2AMGLL
SCHEMBL4018836 0.85 GRIN1 (0.38) KMT2AMGLL
SCHEMBL4021748 0.83 MGLL (0.39) ALDH1A1MGLL
SCHEMBL4021759 0.83 MGLL (0.39) ALDH1A1MGLL
SCHEMBL4019080 0.83 MGLL (0.33) MGLL
SCHEMBL4751351 0.82 MEN1 (0.40) KMT2AMGLL
SCHEMBL4752869 0.82 MEN1 (0.40) KMT2AMGLL
SCHEMBL4023633 0.82 MGLL (0.39) ALDH1A1MGLL

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 GAA 350/4885TDP1 1064/4885LMNA 315/4885

“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.