SCHEMBL12355282

SCHEMBL12355282

CC1CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GPR174 Q9BXC1 6/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CTPS1 P17812 1/20 0.36
RECQL P46063 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL31049358 0.93 TDP1 (0.51) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL31224774 0.87 PTGS1 (0.49) ATMTDP1ALDH1A1MAPTGAA
SCHEMBL12355287 0.84 PTGS1 (0.43) ATMTDP1ALDH1A1MAPTPTGS1
SCHEMBL18824873 0.84 ATM (0.46) ATMTDP1ALDH1A1MAPTGAA
SCHEMBL16514882 0.84 MAOA (0.45) ATMTDP1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL29847893 0.82 ATM (0.44) ATMTDP1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL16513834 0.82 ATM (0.44) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL16532745 0.81 ATM (0.43) ATMTDP1ALDH1A1MAPTLMNA
SCHEMBL2245628 0.80 MAPT (0.50) TDP1ALDH1A1MAPTHTTMAPK1
SCHEMBL2241719 0.80 MAPT (0.50) TDP1ALDH1A1MAPTHTTMAPK1

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-8003676-B2 1,3,4-oxadiazole derivatives as DGAT1 inhibitors ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-20100029727-A1 1, 3, 4 -OXADIAZOLE DERIVATIVES AS DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 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-20100029727-A1 1, 3, 4 -OXADIAZOLE DERIVATIVES AS DGAT1 INHIBITORS DGAT1, DGAT2, ACAT2 ATM 2726/4885TDP1 2168/4885ALDH1A1 193/4885

“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.