SCHEMBL5115575

SCHEMBL5115575

Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
KIT P10721 1/20 0.46
POLB P06746 1/20 0.44
GNRHR P30968 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
ATM Q13315 1/20 0.42
HIF1A Q16665 1/20 0.41
MMP13 P45452 1/20 0.41
MAPK14 Q16539 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
SCHEMBL29196685 0.81 TDP1 (0.46) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL28981113 0.80 CNR2 (0.47) NPC1RAB9APOLBHIF1AMAPK14
SCHEMBL29242386 0.79 CA2 (0.52) POLBKMT2AMEN1MMP13MAPK14
SCHEMBL5230023 0.77 P2RX7 (0.43) KMT2AMEN1ATMHIF1A
SCHEMBL4880000 0.77 P2RX7 (0.59) KMT2AMEN1
SCHEMBL4818763 0.76 CA2 (0.54) MMP13MAPK14
SCHEMBL5125702 0.76 KMT2A (0.60) NPC1RAB9AKITPOLBKMT2A
SCHEMBL16658358 0.76 HTT (0.50) KMT2AMEN1
SCHEMBL3525812 0.74 MEN1 (0.52) POLBKMT2AMEN1MAPK14
SCHEMBL1233325 0.74 MAPK14 (0.56) MAPK14

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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1844003-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR AstraZeneca AB (SE) 2007-10-17 EP disclosed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 WO 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 (1 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 NPC1 1046/4885RAB9A 3039/4885KIT 625/4885

“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.