SCHEMBL1591609

SCHEMBL1591609

Cc1cccc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CCR8 P51685 2/20 0.45
MAPT P10636 2/20 0.43
MAPK14 Q16539 1/20 0.42
GPR35 Q9HC97 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ACKR3 P25106 1/20 0.41
POLB P06746 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNH2 Q12809 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
USP2 O75604 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.41
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL1591093 0.87 LMNA (0.45) KMT2AMEN1MAPTMAPK14LMNA
SCHEMBL1590972 0.87 CNR2 (0.46) NPC1RAB9AMAPTUSP2MAPK1
SCHEMBL1590454 0.87 TP53 (0.44) KMT2AMEN1LMNAUSP2
SCHEMBL1590914 0.87 KMT2A (0.43) KMT2ACCR8MAPTALDH1A1ACKR3
SCHEMBL1590690 0.87 ACKR3 (0.43) CCR8MAPTLMNAACKR3
SCHEMBL1590363 0.86 RAB9A (0.52) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1590769 0.86 ACKR3 (0.46) KMT2AMEN1ALDH1A1LMNAACKR3
SCHEMBL1590776 0.85 RAB9A (0.47) NPC1RAB9AKMT2AMEN1CCR8
SCHEMBL1590333 0.85 P2RX7 (0.40) NPC1RAB9AALDH1A1POLB
SCHEMBL1590875 0.85 KMT2A (0.41) KMT2AMEN1CCR8MAPT

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 NPC1 2233/4885RAB9A 3422/4885KMT2A 4614/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 NPC1 2233/4885RAB9A 3422/4885KMT2A 4614/4885

“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.