SCHEMBL1591058

SCHEMBL1591058

CCOc1ccccc1CC(=O)Nc1cccc2c(=O)n(CC3(O)CCCCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
TP53 P04637 3/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM2 Q14416 1/20 0.41
MAPT P10636 2/20 0.40
GLS O94925 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL1591053 0.91 KDM4E (0.51) TSHRRAB9ALMNAALDH1A1KDM4E
SCHEMBL17577862 0.89 POLB (0.49) POLBTP53THRBTSHRRAB9A
SCHEMBL1590597 0.86 POLB (0.42) POLBKMT2AALDH1A1KDM4EHPGD
SCHEMBL1591424 0.86 POLB (0.43) POLBTP53RAB9ALMNAALDH1A1
SCHEMBL1591499 0.85 KMT2A (0.48) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL1591352 0.84 KCNQ2 (0.47) POLBKMT2AALDH1A1KDM4EHPGD
SCHEMBL1591761 0.84 KMT2A (0.47) TP53RAB9AKMT2ALMNAALDH1A1
SCHEMBL1590742 0.83 GRM2 (0.50) POLBTSHRRAB9AKMT2ALMNA
SCHEMBL1590833 0.83 KDM4E (0.45) KMT2ALMNAALDH1A1KDM4EHPGD
SCHEMBL13047128 0.82 POLB (0.56) POLBTP53THRBTSHRRAB9A

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 POLB 3676/4885TP53 4589/4885THRB 1333/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 POLB 3676/4885TP53 4589/4885THRB 1333/4885

“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.