SCHEMBL1591053

SCHEMBL1591053

COc1ccccc1CC(=O)Nc1cccc2c(=O)n(CC3(O)CCCCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.48
GRM2 Q14416 1/20 0.48
TSHR P16473 3/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL1590742 0.92 GRM2 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1591058 0.91 POLB (0.51) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1590401 0.90 SHMT2 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1590833 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1590597 0.88 POLB (0.42) KDM4EALDH1A1HPGDGRM2
SCHEMBL1591499 0.87 KMT2A (0.48) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1590356 0.87 GAA (0.50) KDM4EALDH1A1HPGDGAAGFER
SCHEMBL1591352 0.86 KCNQ2 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL1591761 0.86 KMT2A (0.47) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1591307 0.85 GRM2 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2LMNA

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

“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.