SCHEMBL1590413

SCHEMBL1590413

CC(O)Cn1ccc2c(NC(=O)c3cc(Cl)ccc3Cl)cccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 4/20 0.45
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
P2RX7 Q99572 3/20 0.42
SHMT2 P34897 4/20 0.41
RORC P51449 1/20 0.40
POLB P06746 1/20 0.39
GRM2 Q14416 1/20 0.39
GPR139 Q6DWJ6 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
SCHEMBL1590367 0.92 KDM4E (0.54) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL1590921 0.91 MAPT (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL1590592 0.91 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL1591037 0.89 MAPT (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL1590504 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL1590438 0.85 HPGD (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL13047435 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL1590409 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL13046839 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL1590272 0.83 TAS1R3 (0.45) SMN1; SMN2NPSR1CYP1A2CYP3A4MAPT

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 ALDH1A1 3640/4885SMN1; SMN2 4369/4885KDM4E 4128/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885SMN1; SMN2 4369/4885KDM4E 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.