SCHEMBL1590875

SCHEMBL1590875

COc1c(C)cc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)cc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CNR2 P34972 4/20 0.40
CNR1 P21554 3/20 0.40
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
HTT P42858 1/20 0.38
P2RX7 Q99572 4/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
CCR8 P51685 1/20 0.36

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
SCHEMBL1590769 0.90 ACKR3 (0.46) KMT2AMEN1CNR2HSD17B10HTT
SCHEMBL1591656 0.89 MEN1 (0.45) KMT2AMEN1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL1591093 0.86 LMNA (0.45) KMT2AMEN1CNR2CNR1HSD17B10
SCHEMBL1590454 0.86 TP53 (0.44) KMT2AMEN1CNR2CNR1HSD17B10
SCHEMBL1591609 0.85 NPC1 (0.47) KMT2AMEN1MAPTCCR8
SCHEMBL1590249 0.84 ALDH1A1 (0.40) KMT2AMEN1HSD17B10SMN1; SMN2HTT
SCHEMBL1590972 0.84 CNR2 (0.46) CNR2CNR1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL1591479 0.83 PDE4D (0.47) KMT2AMEN1HSD17B10SMN1; SMN2TAS1R3
SCHEMBL1590776 0.82 RAB9A (0.47) KMT2AMEN1SMN1; SMN2L3MBTL1HTT
SCHEMBL1590914 0.82 KMT2A (0.43) KMT2AP2RX7KDM4EMAPTCCR8

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 KMT2A 4614/4885MEN1 4853/4885CNR2 42/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885CNR2 42/4885

“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.