SCHEMBL3551148

SCHEMBL3551148

O=C(O)Cc1ccc(Cl)[n+]([O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
CAMK2A Q9UQM7 1/20 0.44
AKR1B1 P15121 2/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
ABCC4 O15439 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 1/20 0.41
TBXA2R P21731 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
RGS12 O14924 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 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
SCHEMBL69614 0.70 CA2 (0.79) CA2CAMK2AAKR1B1GAALMNA
SCHEMBL75665 0.69 CA2 (0.62) CA2CAMK2AAKR1B1GAALMNA
SCHEMBL6179185 0.68 AKR1B1 (0.54) CA2CAMK2AAKR1B1GAALMNA
SCHEMBL15695537 0.68 ALDH1A1 (0.39) LMNATSHRPTGS1NFKB1BLM
Hydrochloric Acid SCHEMBL25180348 0.67 CA2 (0.75) CA2CAMK2AAKR1B1GAALMNA
Hydrochloric Acid SCHEMBL6765874 0.67 CA2 (0.75) CA2CAMK2AAKR1B1GAALMNA
Hydrochloric Acid SCHEMBL76051 0.67 CA2 (0.60) CA2CAMK2AAKR1B1GAALMNA
SCHEMBL28038880 0.67 CA2 (0.60) CA2CAMK2AAKR1B1GAALMNA
Methane SCHEMBL1994900 0.67 CA2 (0.60) CA2CAMK2AAKR1B1GAALMNA
SCHEMBL164742 0.67 CA2 (0.54) CA2CAMK2AAKR1B1GAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 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 (2 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 CA2 4679/4885CAMK2A 3977/4885AKR1B1 453/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 CA2 4701/4885CAMK2A 3819/4885AKR1B1 487/4885

“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.