SCHEMBL4988090

SCHEMBL4988090

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1ccccc1OC(F)(F)F)CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
KDM2B Q8NHM5 1/20 0.39
LIPE Q05469 3/20 0.37
AKR1C3 P42330 1/20 0.36
C5AR1 P21730 2/20 0.35
SPR P35270 1/20 0.35
RORC P51449 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FGFR4 P22455 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
ALPL P05186 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL4988076 0.84 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL4985224 0.84 AKR1C3 (0.42) LIPEAKR1C3KMT2A
SCHEMBL4985355 0.82 EPHX2 (0.37) AKR1C3C5AR1KMT2AL3MBTL1ALDH1A1
SCHEMBL4986044 0.82 FAAH (0.39) LIPE
SCHEMBL4989343 0.81 AKR1C3 (0.44) KDM2BLIPEAKR1C3ALDH1A1SLC40A1
SCHEMBL4991171 0.80 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL4986273 0.80 PKM (0.42) AKR1C3KMT2AL3MBTL1
SCHEMBL4992135 0.80 ATM (0.41) KDM2BL3MBTL1ALDH1A1TDP1
SCHEMBL4989380 0.80 ALDH1A1 (0.39) KDM2BAKR1C3KMT2AL3MBTL1ALDH1A1
SCHEMBL4988448 0.80 MEN1 (0.45) AKR1C3KMT2AALDH1A1

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 1 patent. 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

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 CHRM1 977/4885KDM2B 4316/4885LIPE 4767/4885

“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.