SCHEMBL13047485

SCHEMBL13047485

COc1ccc(OC)c(CC(=O)Nc2cccc3c(=O)n(C)ccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.62
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 2/20 0.55
TP53 P04637 1/20 0.55
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL1591132 0.88 P2RX7 (0.54) SHMT2LMNAHTTSMN1; SMN2MEN1
SCHEMBL13047206 0.87 TP53 (0.54) SHMT2LMNAHTTSMN1; SMN2TP53
SCHEMBL13047164 0.87 MAPT (0.59) SHMT2LMNAHTTSMN1; SMN2POLB
SCHEMBL13046863 0.86 SHMT2 (0.51) SHMT2LMNAHTTSMN1; SMN2MEN1
SCHEMBL15290185 0.85 ALDH1A1 (0.50) SHMT2LMNAHTTSMN1; SMN2MEN1
SCHEMBL1591754 0.85 P2RX7 (0.57) SHMT2LMNAHTTSMN1; SMN2POLB
SCHEMBL13047167 0.85 POLB (0.67) LMNAHTTSMN1; SMN2POLBTP53
SCHEMBL13047170 0.85 ALDH1A1 (0.55) LMNAHTTSMN1; SMN2POLBTP53
SCHEMBL1590792 0.84 SHMT2 (0.49) SHMT2LMNAHTTSMN1; SMN2POLB
SCHEMBL1590452 0.84 LMNA (0.49) SHMT2LMNAHTTSMN1; SMN2TP53

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-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 SHMT2 1839/4885LMNA 1911/4885HTT 4422/4885

“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.