SCHEMBL13046702

SCHEMBL13046702

COCCn1ccc2c(NC(=O)CCc3ccc4c(c3)OCO4)cccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
HPGD P15428 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.47
NR5A1 Q13285 2/20 0.47
MAPT P10636 1/20 0.47
PTPN7 P35236 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
MCL1 Q07820 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
SCHEMBL13047230 0.91 P2RX7 (0.51) TP53HPGDKDM4ELMNAHSD17B10
SCHEMBL13046631 0.88 KDM4E (0.46) TP53HPGDKDM4ELMNAHSD17B10
SCHEMBL13046665 0.86 KDM4E (0.49) TP53HPGDKDM4ELMNAHSD17B10
SCHEMBL13046650 0.85 EPHX2 (0.46) TP53HPGDKDM4ELMNAHSD17B10
SCHEMBL1591168 0.85 KDM4E (0.50) TP53HPGDKDM4ELMNAHSD17B10
SCHEMBL1591587 0.85 KDM4E (0.49) TP53HPGDKDM4ELMNAHSD17B10
SCHEMBL13047259 0.84 TP53 (0.53) TP53LMNAMAPTRXFP1POLB
SCHEMBL13046691 0.83 GRM2 (0.60) TP53KDM4ERXFP1POLB
SCHEMBL13047263 0.83 TP53 (0.52) TP53MAPTSMN1; SMN2KMT2ARXFP1
SCHEMBL13047201 0.83 GRM2 (0.59) TP53HPGDKDM4EGAAHDAC1

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 TP53 4589/4885HPGD 368/4885KDM4E 4128/4885

“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.