SCHEMBL1590835

SCHEMBL1590835

COc1ccc(CC(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
P2RX7 Q99572 4/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1590403 0.93 SHMT2 (0.45) MEN1KMT2AMAPTHTTHSD17B10
SCHEMBL1591055 0.90 LMNA (0.51) KMT2AMAPTHTTHSD17B10LMNA
SCHEMBL1591310 0.88 EPHX2 (0.48) MAPTHTTHSD17B10LMNASMN1; SMN2
SCHEMBL1590208 0.87 POLB (0.46) MEN1KMT2AMAPTHTTHSD17B10
SCHEMBL1590360 0.86 GAA (0.49) MAPTHTTHSD17B10LMNASMN1; SMN2
SCHEMBL1590994 0.83 P2RX7 (0.57) MEN1KMT2AMAPTHTTLMNA
SCHEMBL1591395 0.83 ALDH1A1 (0.47) KMT2AHSD17B10P2RX7KDM4ERAB9A
SCHEMBL1591062 0.83 TSHR (0.47) MEN1KMT2AMAPTHTTHSD17B10
SCHEMBL1590881 0.83 P2RX7 (0.44) MAPTHTTHSD17B10SMN1; SMN2P2RX7
SCHEMBL1590746 0.82 HTT (0.46) KMT2AMAPTHTTHSD17B10LMNA

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 MEN1 4853/4885KMT2A 4614/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 MEN1 4853/4885KMT2A 4614/4885MAPT 4477/4885

“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.