SCHEMBL6403028

SCHEMBL6403028

C[C@@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)N(C)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
APEX1 P27695 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FPR2 P25090 2/20 0.35
SCN9A Q15858 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL7112758 1.00 MAPT (0.38) MAPTCYP1A2CYP3A4LMNATP53
SCHEMBL3217731 0.91 MAPT (0.38) MAPTCYP1A2CYP3A4LMNATP53
SCHEMBL29792113 0.91 MAPT (0.38) MAPTCYP1A2CYP3A4LMNATP53
SCHEMBL3630904 0.91 MAPT (0.38) MAPTCYP1A2CYP3A4LMNATP53
SCHEMBL29530747 0.91 MAPT (0.38) MAPTCYP1A2CYP3A4LMNATP53
SCHEMBL120855 0.91 MAPT (0.38) MAPTCYP1A2CYP3A4LMNATP53
SCHEMBL7154225 0.91 MAPT (0.39) MAPTCYP1A2CYP3A4LMNATP53
Isopropylamine SCHEMBL19641965 0.89 MAPT (0.37) MAPTCYP1A2CYP3A4LMNATP53
SCHEMBL7763619 0.88 CTSD (0.38) MAPTCYP1A2CYP3A4LMNATP53
SCHEMBL6409038 0.86 MAPT (0.39) MAPTCYP1A2CYP3A4LMNATP53

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-20050043180-A1 For prevention of generation of barnyard grass produced from rice DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2005-02-24 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 (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-20050043180-A1 For prevention of generation of barnyard grass produced from rice CBR3, HRH3, H1-3 MAPT 4698/4885CYP1A2 178/4885CYP3A4 995/4885

“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.