SCHEMBL1591439

SCHEMBL1591439

CC(C)(O)Cn1ccc2c(NC(=O)Cc3cccc4ccccc34)cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
PTGER4 P35408 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK8 P45983 6/20 0.52
MAPK10 P53779 6/20 0.52
MAPK9 P45984 5/20 0.52
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL13047055 0.93 KMT2A (0.53) KMT2AMEN1KDM4ELMNAHPGD
SCHEMBL17577827 0.89 P2RX7 (0.44) KDM4EHPGDMAPK8MAPK10MAPK9
SCHEMBL1590626 0.89 P2RX7 (0.44) KDM4ELMNAHPGDPOLBALDH1A1
SCHEMBL1591288 0.88 ALDH1A1 (0.52) KMT2AMEN1KDM4ELMNAHPGD
SCHEMBL1591185 0.88 GRM2 (0.53) KDM4ELMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL14407695 0.87 P2RX7 (0.53) KMT2AMEN1KDM4EHPGDMAPK8
SCHEMBL1590487 0.87 KDM4E (0.55) KDM4ELMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL1590821 0.84 MAPT (0.46) KMT2AMEN1KDM4ELMNAHPGD
SCHEMBL1590493 0.84 TP53 (0.44) KDM4EHPGDSMN1; SMN2MAPK8MAPK9
SCHEMBL1591191 0.83 P2RX7 (0.51) KMT2AMEN1KDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885KDM4E 4128/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885KDM4E 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.