SCHEMBL1591606

SCHEMBL1591606

Cc1cccc(C(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 6/20 0.43
MAPT P10636 3/20 0.43
GPR35 Q9HC97 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR8 P51685 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNH2 Q12809 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39

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
SCHEMBL17577791 0.88 KMT2A (0.44) KMT2AMEN1LMNAMAPTGPR35
SCHEMBL1591090 0.87 IDO1 (0.38) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL1590453 0.87 TP53 (0.42) KMT2ALMNAMAPTCNR2
SCHEMBL1590969 0.87 CNR2 (0.44) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL1590686 0.87 POLB (0.41) KMT2AMEN1MAPTPOLB
SCHEMBL1590910 0.87 KMT2A (0.43) KMT2ALMNAMAPTALDH1A1POLB
SCHEMBL1590361 0.86 TP53 (0.47) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL1590669 0.86 GAA (0.45) KMT2AMEN1MAPTGPR35ALDH1A1
SCHEMBL1590765 0.86 CNR2 (0.41) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL1590870 0.85 BRD4 (0.39) KMT2AMEN1LMNAALDH1A1TSHR

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 KMT2A 4614/4885MEN1 4853/4885LMNA 1911/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885LMNA 1911/4885

“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.