SCHEMBL3045119

SCHEMBL3045119

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TACR3 P29371 8/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PLA2G2A P14555 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CTSB P07858 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3155976 1.00 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL4556318 0.94 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL3052299 0.90 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL8505490 0.90 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL8261052 0.89 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL2617528 0.89 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL375146 0.89 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL6011641 0.89 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL13223030 0.88 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1
SCHEMBL13223032 0.88 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3MEN1

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
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
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
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 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-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.