SCHEMBL3052280

SCHEMBL3052280

COc1ccc2c(O[C@H]3CN[C@H](C(=O)O)C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TACR3 P29371 8/20 0.48
PLA2G2A P14555 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
GRIK1 P39086 2/20 0.44
GRIA2 P42262 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL5692604 1.00 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL4981224 1.00 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL8203094 0.93 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL8354904 0.93 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL4617427 0.93 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL7095755 0.89 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL4409471 0.88 HTR3E (0.47) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL13451464 0.86 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL13176984 0.86 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
Hydrochloric Acid SCHEMBL2709962 0.86 DPP4 (0.47) KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2066688-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed
EP-1337550-B1 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
US-6872805-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-29 US disclosed
US-20020111313-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 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-20020111313-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP KDM4E 3925/4885SMN1; SMN2 4835/4885ALDH1A1 3255/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KDM4E 4021/4885SMN1; SMN2 877/4885ALDH1A1 135/4885

“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.