SCHEMBL1629532

SCHEMBL1629532

O=C(NCC1CCCO1)c1ccc(-c2ccccc2)nc1NCCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 2/20 0.51
GAA P10253 4/20 0.49
HPGD P15428 5/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL1630302 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1POLBMAPT
SCHEMBL12724230 0.82 CHRM1 (0.45) ALDH1A1KDM4EHPGDLMNA
SCHEMBL12724210 0.81 LMNA (0.59) ALDH1A1KDM4EPOLBHPGDLMNA
SCHEMBL1630989 0.81 PBK (0.44) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL1629596 0.81 PBK (0.44) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL1631690 0.81 THRB (0.40) ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL1629982 0.80 HCRTR1 (0.46) ALDH1A1KDM4EHPGD
SCHEMBL1632058 0.80 HTR4 (0.43) ALDH1A1KDM4EHPGD
SCHEMBL12724249 0.80 KDM4E (0.52) ALDH1A1KDM4EL3MBTL1MAPTRXFP1
SCHEMBL1629742 0.80 KDM4E (0.53) ALDH1A1KDM4EPOLBHPGDLMNA

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 8 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-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
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
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO 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 ALDH1A1 1756/4885KDM4E 3309/4885L3MBTL1 4674/4885

“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.