SCHEMBL219990

SCHEMBL219990

CCC(C)OP(=O)(O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MDM2 Q00987 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SLC6A7 Q99884 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2739055 0.79 MAPT (0.46) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL219789 0.75 LMNA (0.49) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL217410 0.73 LMNA (0.49) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL217564 0.73 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL2739056 0.72 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL219989 0.72 LMNA (0.45) KDM4ELMNAKMT2AMEN1MDM2
SCHEMBL15443857 0.71 LMNA (0.44) KDM4ELMNAKMT2AMEN1MDM2
SCHEMBL14995241 0.70 LMNA (0.46) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL2739057 0.69 MAPT (0.49) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL22001600 0.68 LMNA (0.42) KDM4EALDH1A1SMN1; SMN2TDP1LMNA

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-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
EP-1778252-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS Barbeau, Donald L. (US) 2007-05-02 EP disclosed
WO-2006020573-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS BARBEAU DONALD L (US) 2006-02-23 WO disclosed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 KDM4E 3018/4885ALDH1A1 1667/4885SMN1; SMN2 3602/4885

“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.