SCHEMBL4991400

SCHEMBL4991400

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1ccc(F)cc1Cl)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
HSD11B1 P28845 4/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SPR P35270 1/20 0.34
FAAH O00519 1/20 0.34
AKR1C3 P42330 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ENPP2 Q13822 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4989380 0.90 ALDH1A1 (0.39) AKR1C3CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4986273 0.88 PKM (0.42) TP53SMN1; SMN2AKR1C3LMNARAB9A
SCHEMBL4986044 0.87 FAAH (0.39) EPHX2FAAH
SCHEMBL4985233 0.87 TRPV4 (0.40) HSD11B1AKR1C3TRPV4
SCHEMBL4989307 0.86 ALDH1A1 (0.46) EPHX2HSD11B1TP53AKR1C3RAB9A
SCHEMBL4988235 0.86 MAPT (0.38) TP53SMN1; SMN2AKR1C3RAB9ACYP1A2
SCHEMBL4989326 0.85 ALDH1A1 (0.38) EPHX2TP53AKR1C3LMNAALDH1A1
SCHEMBL4986058 0.84 USP2 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL4983020 0.84 MEN1 (0.47) AKR1C3ALDH1A1
SCHEMBL4988076 0.83 KMT2A (0.49) EPHX2SMN1; SMN2RAB9AALDH1A1

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 EPHX2 569/4885HSD11B1 3494/4885PTGDR2 134/4885

“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.