SCHEMBL1591352

SCHEMBL1591352

O=C(Cc1ccccc1Cl)Nc1cccc2c(=O)n(CC3(O)CCCCC3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.47
GRM2 Q14416 1/20 0.47
P2RX7 Q99572 5/20 0.45
PARP14 Q460N5 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
KMT2A Q03164 2/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1589718 0.92 GRM2 (0.45) KCNQ2GRM2P2RX7ALDH1A1KDM4E
SCHEMBL1591499 0.89 KMT2A (0.48) P2RX7ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL1591761 0.89 KMT2A (0.47) P2RX7PARP14ALDH1A1KDM4EMAPT
SCHEMBL1590597 0.89 POLB (0.42) GRM2P2RX7ALDH1A1KDM4EKMT2A
SCHEMBL1591053 0.86 KDM4E (0.51) GRM2ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL1591058 0.84 POLB (0.51) GRM2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL13114786 0.84 P2RX7 (0.39) P2RX7ALDH1A1KDM4EMAPK1MAPT
SCHEMBL1591134 0.84 JUN (0.42) P2RX7ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1589954 0.83 P2RX7 (0.45) GRM2P2RX7PARP14ALDH1A1KDM4E
SCHEMBL1590633 0.82 POLB (0.41) GRM2P2RX7ALDH1A1KDM4EMAPT

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 KCNQ2 519/4885GRM2 332/4885P2RX7 1/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KCNQ2 519/4885GRM2 332/4885P2RX7 1/4885

“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.