SCHEMBL4022350

SCHEMBL4022350

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C(C)(C)C(=O)N2CCN(C)CC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
HRH4 Q9H3N8 4/20 0.35
MGLL Q99685 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERN1 O75460 1/20 0.34
KDM1A O60341 1/20 0.33
HTR1F P30939 1/20 0.33

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
SCHEMBL4023697 1.00 SIGMAR1 (0.37) SIGMAR1HRH4MGLLMEN1KMT2A
SCHEMBL4752082 0.88 HRH4 (0.37) HRH4MGLLMEN1KMT2AAPOBEC3A
SCHEMBL4787104 0.88 HRH4 (0.37) HRH4MGLLMEN1KMT2AAPOBEC3A
SCHEMBL4778278 0.87
SCHEMBL4022068 0.84 KDM1A (0.38) HRH4MGLLMEN1KMT2AERN1
SCHEMBL4022061 0.84 KDM1A (0.38) HRH4MGLLMEN1KMT2AERN1
SCHEMBL4028111 0.84 SIGMAR1 (0.38) SIGMAR1HRH4MGLLMEN1KMT2A
SCHEMBL4018836 0.83 GRIN1 (0.38) MGLLMEN1KMT2AHTR1F
SCHEMBL4019244 0.82 MGLL (0.41) MGLLHTR1F
SCHEMBL4021829 0.81 MAPT (0.33) SIGMAR1HRH4MGLLMEN1KMT2A

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 4 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 claimed
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 SIGMAR1 3578/4885HRH4 2504/4885MGLL 2929/4885

“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.