SCHEMBL20109212

SCHEMBL20109212

CC/C(=C\C(C)C)P1(=S)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.32
CHRNA7 P36544 2/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DRD2 P14416 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL20109216 0.86 MAPT (0.37) CHRNA7MAPTALDH1A1DRD2SIGMAR1
SCHEMBL20109238 0.83 TRPA1 (0.32) TRPA1CHRNA7MAPTKDM4EALDH1A1
SCHEMBL20109135 0.83 TRPA1 (0.32) TRPA1CHRNA7MAPTKDM4EALDH1A1
SCHEMBL20113910 0.82 NPC1 (0.37) MAPTALDH1A1L3MBTL1ATM
SCHEMBL20109210 0.82 CHRNA7 (0.33) CHRNA7MAPTDRD2SIGMAR1
SCHEMBL20109209 0.82 CHRNA7 (0.33) CHRNA7MAPTDRD2SIGMAR1
SCHEMBL20109208 0.81 SMN1; SMN2 (0.40) CHRNA7MAPTKDM4EALDH1A1
SCHEMBL20109224 0.80 CHRNA7 (0.32) CHRNA7MAPTL3MBTL1DRD2SIGMAR1
SCHEMBL20109214 0.74 CHRNA7 (0.36) CHRNA7MAPTDRD2SIGMAR1ATM
SCHEMBL21866424 0.72 MAPT (0.34) MAPTKDM4EALDH1A1

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-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 TRPA1 2417/4885CHRNA7 3780/4885MAPT 4371/4885

“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.