SCHEMBL1591055

SCHEMBL1591055

COc1ccccc1CC(=O)Nc1cccc2c(=O)n(C(O)C3CCCCC3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 3/20 0.49
GFER P55789 1/20 0.49
HTT P42858 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 5/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX7 Q99572 2/20 0.45
MAPK1 P28482 1/20 0.44
ACKR3 P25106 1/20 0.44
KMT2A Q03164 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
SCHEMBL1590746 0.92 HTT (0.46) LMNASMN1; SMN2GAAGFERHTT
SCHEMBL1591062 0.91 TSHR (0.47) LMNASMN1; SMN2HTTHSD17B10MAPT
SCHEMBL1590403 0.90 SHMT2 (0.45) LMNASMN1; SMN2HTTHSD17B10MAPT
SCHEMBL1590835 0.90 MEN1 (0.53) LMNASMN1; SMN2HTTHSD17B10MAPT
SCHEMBL1590600 0.88 P2RX7 (0.44) LMNASMN1; SMN2HTTHSD17B10KDM4E
SCHEMBL1591502 0.87 KMT2A (0.47) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1590360 0.87 GAA (0.49) LMNASMN1; SMN2GAAGFERHTT
SCHEMBL1591762 0.86 KMT2A (0.47) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL1591354 0.86 KCNQ2 (0.47) KDM4ETSHRALDH1A1NPSR1P2RX7
SCHEMBL1591310 0.86 EPHX2 (0.48) LMNASMN1; SMN2HTTHSD17B10MAPT

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 3 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

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 LMNA 1911/4885SMN1; SMN2 4369/4885GAA 4179/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 LMNA 1911/4885SMN1; SMN2 4369/4885GAA 4179/4885

“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.