SCHEMBL13971702

SCHEMBL13971702

Cc1[nH]c2ccccc2c1CC(N)C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HTT P42858 4/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
HTR6 P50406 1/20 0.48
SLC2A1 P11166 1/20 0.45
NR3C1 P04150 1/20 0.44
KRAS P01116 1/20 0.43
LMNA P02545 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 2/20 0.43
AHR P35869 1/20 0.43
MITF O75030 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL21138566 0.85 MAPT (0.51) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL9669788 0.83 SCN9A (0.40) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL7560965 0.82 SCN9A (0.41) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL15281761 0.81 MAPT (0.57) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL15281774 0.81 MAPT (0.57) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL21944642 0.78 MAPT (0.54) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL16559073 0.78 MAPT (0.54) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL21944641 0.78 MAPT (0.54) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL16559075 0.78 MAPT (0.54) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL2049320 0.78 MAPT (0.61) MAPTCYP3A4ALDH1A1KDM4EGAA

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-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 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-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS MAPT 2392/4885CYP3A4 2540/4885ALDH1A1 3637/4885

“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.