SCHEMBL4519985

SCHEMBL4519985

C[C@@H](COc1cccc2cnccc12)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.48
KCNA3 P22001 1/20 0.48
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4517253 0.77 KCNA3 (0.56) NR3C1KCNA3KDM4ELMNAADRB2
SCHEMBL10577053 0.76 KCNA3 (0.60) KCNA3ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL27535690 0.76 KCNA3 (0.55) NR3C1KCNA3ALDH1A1KDM4ELMNA
SCHEMBL10639052 0.76 TDP1 (0.51) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL10639046 0.76 TDP1 (0.51) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL5508943 0.73 TDP1 (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2ADRB2
SCHEMBL31616042 0.73 TDP1 (0.49) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL31616030 0.73 TDP1 (0.49) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL4114045 0.72 NR3C1 (0.54) NR3C1ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL11144866 0.71 KCNA3 (0.61) NR3C1KCNA3ALDH1A1MAPTKDM4E

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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 NR3C1 1/4885KCNA3 1704/4885ALDH1A1 2398/4885

“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.