SCHEMBL4986254

SCHEMBL4986254

CN1CCOc2cc(S(=O)(=O)N3CCc4c(ncnc4NC(=O)CC45CC6CC(CC(C6)C4)C5)C3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.43
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
EPHX2 P34913 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL14272377 0.90 TSHR (0.45) LMNAPKMHCRTR1HCRTR2ALDH1A1
SCHEMBL4984958 0.90 RAB9A (0.42) LMNAPKMALDH1A1MAPTCA12
SCHEMBL13532327 0.88 LMNA (0.46) LMNAPKMHCRTR1HCRTR2ALDH1A1
SCHEMBL4985280 0.83 P2RX7 (0.43) EPHX2KMT2AMEN1CA12CA9
SCHEMBL4987204 0.83 P2RX7 (0.42) LMNAALDH1A1EPHX2KMT2AMEN1
SCHEMBL4982801 0.83 CA12 (0.41) LMNAPKMHDAC3HDAC4HDAC1
SCHEMBL4988078 0.83 P2RX7 (0.43) LMNAEPHX2KMT2ACA12CA9
SCHEMBL4982810 0.82 P2RX7 (0.47) ALDH1A1KMT2AMEN1CA12CA9
SCHEMBL4988356 0.82 P2RX7 (0.44) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5014908 0.82 KMT2A (0.43) EPHX2KMT2AMEN1CA12CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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 (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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 LMNA 1911/4885PKM 1098/4885HCRTR1 321/4885

“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.