SCHEMBL3746804

SCHEMBL3746804

CC(C)COc1ccc(C#N)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
MRGPRX4 Q96LA9 4/20 0.47
SLC6A4 P31645 2/20 0.45
KCNH2 Q12809 2/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ICMT O60725 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.41
XDH P47989 1/20 0.41
KDM1A O60341 1/20 0.40

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
SCHEMBL3734536 0.84 AR (0.48) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL3739646 0.84 AR (0.48) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL10088459 0.84 MRGPRX4 (0.47) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL2344031 0.82 XDH (0.53) XDH
SCHEMBL31019133 0.82 XDH (0.53) XDH
SCHEMBL12455378 0.82 MRGPRX4 (0.48) ARMRGPRX4KCNH2ICMTALDH1A1
SCHEMBL435768 0.81 TRPV4 (0.56) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL28291444 0.81 ALDH1A1 (0.45) SLC6A4KCNH2SLC6A3ALDH1A1GAA
SCHEMBL17309854 0.81 SLC6A9 (0.47) ARKCNH2ICMTALDH1A1GAA
SCHEMBL2636175 0.81 ALDH1A1 (0.42) ARKCNH2ALDH1A1GAAFFAR1

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-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 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-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 AR 2563/4885MRGPRX4 41/4885SLC6A4 3482/4885

“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.