SCHEMBL13890366

SCHEMBL13890366

COc1ccc(C2CC3=C(CCC(C(F)(F)F)C3)N2c2nc(C(=O)O)cs2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GALR3 O60755 1/20 0.46
PTGER1 P34995 5/20 0.42
LDHA P00338 2/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCRTR1 O43613 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
CFB P00751 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCB1 P08183 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL13266029 0.81 PDE5A (0.40) ALDH1A1MAPTMAOAMAOBLMNA
SCHEMBL2998606 0.75 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EGALR3PTGER1
SCHEMBL13890313 0.69 GAA (0.37) ALDH1A1MAPTKDM4EPTGER1TDP1
SCHEMBL13363620 0.68 PTGER1 (0.43) PTGER1LDHACYP1A2CYP2C19
SCHEMBL2997463 0.67 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGALR3PTGER1
SCHEMBL14403826 0.67 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EGALR3PTGER1
SCHEMBL17685042 0.66 MAPT (0.42) ALDH1A1MAPTKDM4EGALR3PTGER1
SCHEMBL9823342 0.61 CYP1A1 (0.63) ALDH1A1MAPTKDM4EGALR3SMN1; SMN2
SCHEMBL15284106 0.61 PTGER1 (0.40) ALDH1A1MAPTKDM4EGALR3PTGER1
SCHEMBL12375371 0.60 PTGER1 (0.67) PTGER1CYP1A2CYP2C19

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-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 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-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC ALDH1A1 1938/4885MAPT 657/4885KDM4E 4625/4885

“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.