SCHEMBL1590154

SCHEMBL1590154

COc1ccc(CC(=O)Nc2cccc3c(=O)n(C(C)CO)ccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.65
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PARP14 Q460N5 1/20 0.47
KCNQ2 O43526 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
GRM2 Q14416 1/20 0.45
MAPK1 P28482 1/20 0.45
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL1589563 0.91 P2RX7 (0.64) P2RX7SMN1; SMN2PARP14KCNQ2POLB
SCHEMBL1590357 0.90 P2RX7 (0.58) P2RX7ALDH1A1TP53POLBKDM4E
SCHEMBL1591138 0.88 P2RX7 (0.68) P2RX7ALDH1A1SMN1; SMN2PARP14POLB
SCHEMBL1590994 0.87 P2RX7 (0.57) P2RX7ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL1591754 0.87 P2RX7 (0.57) P2RX7ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL1591474 0.85 P2RX7 (0.74) P2RX7POLBLMNA
SCHEMBL1590263 0.85 P2RX7 (0.74) P2RX7POLBLMNA
SCHEMBL1590377 0.85 P2RX7 (0.59) P2RX7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL1590419 0.84 P2RX7 (0.67) P2RX7ALDH1A1KCNQ2TP53POLB
SCHEMBL1591221 0.83 P2RX7 (0.80) P2RX7ALDH1A1PARP14KCNQ2KDM4E

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 10 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
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
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 P2RX7 1/4885ALDH1A1 3640/4885SMN1; SMN2 4369/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885ALDH1A1 3640/4885SMN1; SMN2 4369/4885

“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.