SCHEMBL1590934

SCHEMBL1590934

Cc1cccc(C(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.41
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.38
SLC2A1 P11166 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
WDR5 P61964 1/20 0.36
USP7 Q93009 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL1590673 0.91 MAPT (0.41) P2RX7PARP1ALDH1A1HPGDHTT
SCHEMBL1591505 0.87 MAPT (0.41) P2RX7PARP1ALDH1A1KDM4EHPGD
SCHEMBL1591747 0.87 SMN1; SMN2 (0.41) P2RX7PARP1ALDH1A1KDM4EHPGD
SCHEMBL1590332 0.85 P2RX7 (0.40) P2RX7ALDH1A1KDM4EHPGDHTT
SCHEMBL1590910 0.85 KMT2A (0.43) P2RX7PARP1ALDH1A1KDM4EHPGD
SCHEMBL1590686 0.85 POLB (0.41) P2RX7PARP1KDM4EMAPTL3MBTL1
SCHEMBL1590969 0.84 CNR2 (0.44) P2RX7ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL1590453 0.84 TP53 (0.42) P2RX7MAPTTAS1R3TAS1R1TAS1R2
SCHEMBL1590247 0.82 USP7 (0.43) ALDH1A1KDM4EHPGDMAPTUSP7
SCHEMBL1590408 0.82 CNR1 (0.40) P2RX7ALDH1A1KDM4EMAPTUSP7

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 P2RX7 1/4885PARP1 1754/4885ALDH1A1 3640/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885PARP1 1754/4885ALDH1A1 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.