SCHEMBL1591704

SCHEMBL1591704

CC(C)(O)Cn1ccc2c(NC(=O)c3ccccc3Cl)cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.53
PABPC1 P11940 1/20 0.47
EIF4H Q15056 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
GRM2 Q14416 1/20 0.46
PTGES O14684 1/20 0.44
LMNA P02545 1/20 0.44
P2RX7 Q99572 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
F2 P00734 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 1/20 0.41
RAB9A P51151 2/20 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
SCHEMBL13047047 0.93 ALDH1A1 (0.54) HPGDALDH1A1KDM4EHTTPABPC1
SCHEMBL1591640 0.92 HTT (0.43) HPGDALDH1A1KDM4EHTTPABPC1
SCHEMBL1590409 0.89 ALDH1A1 (0.47) HPGDALDH1A1KDM4EHTTCYP1A2
SCHEMBL1590748 0.89 KDM4E (0.54) HPGDALDH1A1KDM4EHTTCYP1A2
SCHEMBL1590750 0.88 PARP1 (0.53) ALDH1A1GRM2LMNACNR2L3MBTL1
SCHEMBL1590821 0.88 MAPT (0.46) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1591185 0.84 GRM2 (0.53) HPGDALDH1A1KDM4ECYP2C19GRM2
SCHEMBL13047121 0.84 HPGD (0.44) HPGDALDH1A1KDM4EHTTPABPC1
SCHEMBL1590825 0.84 SMN1; SMN2 (0.44) HPGDALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL1590504 0.83 ALDH1A1 (0.53) HPGDALDH1A1KDM4EHTTPABPC1

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