SCHEMBL20988872

SCHEMBL20988872

O=C(CC1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 1/20 0.67
MAPT P10636 5/20 0.66
HSD17B10 Q99714 3/20 0.66
GAA P10253 1/20 0.64
TP53 P04637 2/20 0.57
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
SCN9A Q15858 2/20 0.52
POLB P06746 1/20 0.50

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
SCHEMBL4597501 0.83 MAPT (0.72) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL14984406 0.82 MEN1 (0.70) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL14120079 0.80 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL20988933 0.79 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL4596903 0.79 MAPT (0.75) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL20988869 0.78 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL20988874 0.78 ALDH1A1 (0.85) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL28703726 0.78 MAPT (0.93) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL28932883 0.76 MAPT (1.00) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL20988946 0.76 MAPT (0.62) ALDH1A1MEN1KMT2ALMNAMAPT

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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS ALDH1A1 4716/4885MEN1 1465/4885KMT2A 2604/4885

“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.