SCHEMBL1590436

SCHEMBL1590436

CC(O)Cn1ccc2c(NC(=O)Cc3ccccc3Cl)cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.53
P2RX7 Q99572 6/20 0.48
PARP14 Q460N5 1/20 0.46
KCNQ2 O43526 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
PTGER3 P43115 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SHMT2 P34897 1/20 0.41

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
SCHEMBL1590402 0.91 GRM2 (0.50) GRM2P2RX7MAPTKDM4EALDH1A1
SCHEMBL1590729 0.88 KMT2A (0.52) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1590322 0.88 ALDH1A1 (0.44) GRM2P2RX7MAPTKDM4EALDH1A1
SCHEMBL1590422 0.88 ALDH1A1 (0.52) P2RX7PARP14MAPTKDM4EALDH1A1
SCHEMBL1591059 0.86 KDM4E (0.55) GRM2MAPTKDM4EALDH1A1HPGD
SCHEMBL13047063 0.84 GRM2 (0.53) GRM2P2RX7PARP14KCNQ2MAPT
SCHEMBL1590504 0.84 ALDH1A1 (0.53) GRM2MAPTKDM4EALDH1A1HPGD
SCHEMBL1590410 0.84 TP53 (0.56) GRM2MAPTKDM4EALDH1A1HPGD
SCHEMBL1591185 0.83 GRM2 (0.53) GRM2P2RX7PARP14KCNQ2MAPT
SCHEMBL1590987 0.83 P2RX7 (0.49) GRM2P2RX7PARP14MAPTKDM4E

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 GRM2 332/4885P2RX7 1/4885PARP14 2099/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GRM2 332/4885P2RX7 1/4885PARP14 2099/4885

“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.