SCHEMBL1590410

SCHEMBL1590410

CCOc1ccccc1CC(=O)Nc1cccc2c(=O)n(CC(C)O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.56
THRB P10828 1/20 0.56
POLB P06746 3/20 0.55
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RORA P35398 2/20 0.45
NR5A1 Q13285 2/20 0.45
GRM2 Q14416 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL1591059 0.90 KDM4E (0.55) TSHRRAB9ALMNAKDM4EALDH1A1
SCHEMBL1590790 0.85 RORA (0.49) TP53POLBRAB9ALMNAALDH1A1
SCHEMBL13047128 0.85 POLB (0.56) TP53THRBPOLBTSHRRAB9A
SCHEMBL1590322 0.85 ALDH1A1 (0.44) POLBKDM4EALDH1A1HPGDGRM2
SCHEMBL1590729 0.85 KMT2A (0.52) POLBKMT2ALMNAKDM4EALDH1A1
SCHEMBL13047256 0.85 TP53 (0.62) TP53THRBPOLBTSHRRAB9A
SCHEMBL17577775 0.84 POLB (0.47) TP53THRBPOLBRAB9AKMT2A
SCHEMBL1590436 0.84 GRM2 (0.53) TP53LMNAKDM4EALDH1A1HPGD
SCHEMBL1590422 0.84 ALDH1A1 (0.52) TP53RAB9AKMT2ALMNAKDM4E
SCHEMBL13047191 0.84 TSHR (0.58) TP53THRBPOLBTSHRRAB9A

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

“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.