SCHEMBL1630459

SCHEMBL1630459

C[C@@H](NC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CTSA P10619 2/20 0.40
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
GBA1 P04062 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL1632116 1.00 MEN1 (0.41) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL1629809 0.93 RPS6KB1 (0.39) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL1631123 0.93 RPS6KB1 (0.39) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL1630977 0.92 NPC1 (0.38) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL1632908 0.92 NPC1 (0.38) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL1630620 0.92 KDM4E (0.40) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL1631302 0.92 KDM4E (0.40) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL1631953 0.92 MAPT (0.40) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL1632287 0.91 MAPT (0.39) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL1632426 0.91 MAPT (0.39) MEN1KMT2AMAPTKDM4EL3MBTL1

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-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 MEN1 510/4885KMT2A 2544/4885MAPT 540/4885

“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.