SCHEMBL1590438

SCHEMBL1590438

Cc1c(Cl)cccc1C(=O)Nc1cccc2c(=O)n(CC(C)O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
GRM2 Q14416 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
P2RX7 Q99572 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39
SHMT2 P34897 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1590504 0.92 ALDH1A1 (0.53) HPGDKDM4EALDH1A1HTTGRM2
SCHEMBL1591452 0.90 PARP1 (0.44) HPGDALDH1A1HTTMAPTTP53
SCHEMBL1590424 0.88 PARP1 (0.43) HPGDKDM4EALDH1A1HTTGRM2
SCHEMBL1591139 0.86 PARP1 (0.53) ALDH1A1GRM2MAPTTP53SHMT2
SCHEMBL1590592 0.86 KDM4E (0.42) HPGDKDM4EALDH1A1HTTGRM2
SCHEMBL1590367 0.85 KDM4E (0.54) HPGDKDM4EALDH1A1HTTMAPT
SCHEMBL1590413 0.85 ALDH1A1 (0.47) HPGDKDM4EALDH1A1HTTGRM2
SCHEMBL13047121 0.84 HPGD (0.44) HPGDKDM4EALDH1A1HTTGRM2
SCHEMBL1591037 0.84 MAPT (0.48) HPGDKDM4EALDH1A1TRPV1MAPT
SCHEMBL1590921 0.84 MAPT (0.51) HPGDKDM4EALDH1A1TRPV1MAPT

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 HPGD 368/4885KDM4E 4128/4885ALDH1A1 3640/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 HPGD 368/4885KDM4E 4128/4885ALDH1A1 3640/4885

“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.