SCHEMBL5458722

SCHEMBL5458722

O=C1CN(CCO)CC[N]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL305249 0.71 CYP3A4 (0.35) CYP3A4KDM4EALDH1A1MAPTLMNA
SCHEMBL28999586 0.68
SCHEMBL596262 0.67
SCHEMBL2819250 0.67
SCHEMBL5072 0.66
SCHEMBL4337709 0.65 KMT2A (0.41) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL749892 0.65 PIK3CD (0.58) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL5418820 0.64 KMT2A (0.48) KMT2AMAPTSMN1; SMN2
SCHEMBL3042153 0.64 KDM4E (0.45) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL424589 0.64 KMT2A (0.39) KMT2AMEN1CYP3A4CYP2C9CYP2C19

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-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 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 (2 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 KMT2A 2009/4885MEN1 1171/4885CYP3A4 1881/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS KMT2A 1891/4885MEN1 1579/4885CYP3A4 534/4885

“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.