SCHEMBL4986058

SCHEMBL4986058

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.43
CNR1 P21554 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.39
ALDH3A1 P30838 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL4989326 0.91 ALDH1A1 (0.38) USP2ALDH1A1PKML3MBTL1MAPT
SCHEMBL4986044 0.89 FAAH (0.39)
SCHEMBL4989307 0.88 ALDH1A1 (0.46) ALDH1A1PKML3MBTL1MAPTHTT
SCHEMBL4988600 0.88 ALDH1A1 (0.49) ALDH1A1TSHRL3MBTL1MAPTTDP1
SCHEMBL4993377 0.85 KMT2A (0.43) PKML3MBTL1MAPTCNR1KMT2A
SCHEMBL4991400 0.84 EPHX2 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL4992334 0.83 CNR1 (0.41) CNR1KMT2AATMPOLBGAA
SCHEMBL4986140 0.83 CNR1 (0.38) MAPTCNR1GAA
SCHEMBL4985233 0.83 TRPV4 (0.40)
SCHEMBL4992564 0.82 MEN1 (0.47) PKML3MBTL1MAPTHTTKMT2A

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 2 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

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 USP2 4733/4885ALDH1A1 3640/4885PKM 1098/4885

“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.