SCHEMBL4125830

SCHEMBL4125830

COC(=O)c1c(C)c(C#N)cc(C(C)(C)C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
IMPDH2 P12268 1/20 0.38
ALDH1A1 P00352 6/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
AR P10275 1/20 0.35
CISD2 Q8N5K1 2/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL4114975 0.78 ALDH1A1 (0.39) ALDH1A1TSHRTDP1HPGDCYP3A4
SCHEMBL4126176 0.78 TSHR (0.39) GAAIMPDH2ALDH1A1TSHRTDP1
SCHEMBL10323394 0.77 TNFRSF1A (0.40) GAAALDH1A1TDP1HPGDCYP3A4
SCHEMBL4127663 0.76 CNR2 (0.39) ALDH1A1MAPTLMNACISD2ADRA2C
SCHEMBL4122587 0.73 ADRA2A (0.36) ALDH1A1TSHRTDP1HPGDCYP3A4
SCHEMBL4128093 0.71 TDP1 (0.43) GAAALDH1A1TDP1HPGDKDM4E
SCHEMBL2791084 0.71 GLRA3 (0.59) GAAALDH1A1TSHRTDP1HPGD
SCHEMBL4123104 0.70 AKR1C3 (0.38) ALDH1A1TSHRTDP1CISD2
SCHEMBL4114952 0.70 CYP3A4 (0.42) GAAALDH1A1TDP1HPGDCYP3A4
SCHEMBL10323062 0.70 TNFRSF1A (0.44) ALDH1A1HPGDGPR35

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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 GAA 831/4885IMPDH2 4631/4885ALDH1A1 1413/4885

“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.