SCHEMBL20988773

SCHEMBL20988773

CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CNCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
HSP90AA1 P07900 2/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
USP2 O75604 1/20 0.45
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL95064 0.82 HPGD (0.65) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL11390038 0.75 HPGD (0.64) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL12632572 0.75 HSP90AA1 (0.60) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL20988805 0.74 ALDH1A1 (0.53) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL10107755 0.71 HSP90AA1 (0.66) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL8299002 0.71 HSP90AA1 (0.65) HPGDHSP90AA1MEN1KMT2AALDH1A1
Pyridine SCHEMBL5332991 0.71 HPGD (0.59) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL11042714 0.71 HPGD (0.56) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL109220 0.70 HPGD (0.70) HPGDMEN1KMT2AALDH1A1TSHR
SCHEMBL8349898 0.70 TRPM8 (0.62) HPGDHSP90AA1KMT2AALDH1A1TSHR

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 HPGD 2600/4885HSP90AA1 1548/4885MEN1 1465/4885

“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.