SCHEMBL3035133

SCHEMBL3035133

O=C1CN(CCO)CC(=O)[Zn]12C(=O)CN(CCO)CC2=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3037526 0.71 KMT2A (0.45) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL3035305 0.71 KMT2A (0.45) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL28999586 0.65
SCHEMBL30073129 0.65 LMNA (0.40) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL12534280 0.64
SCHEMBL2958326 0.63 KMT2A (0.46) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL4337709 0.62 KMT2A (0.41) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL749892 0.62 PIK3CD (0.58) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL1729874 0.62 KMT2A (0.41) KMT2AMAPTMEN1CYP3A4CYP2C9
SCHEMBL268537 0.62 KMT2A (1.00) KMT2AMAPTKDM4EALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100202989-A1 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS WANG BING 2010-08-12 US claimed

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-20100202989-A1 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS KRT18, CUTA, TUBB1 KMT2A 3319/4885MAPT 1044/4885KDM4E 1588/4885

“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.