SCHEMBL7557518

SCHEMBL7557518

COc1cc(NNC(=O)C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
ALDH1A1 P00352 9/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 2/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
ALOX5 P09917 1/20 0.41
FBP1 P09467 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20984489 0.88 HTT (0.50) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL15540490 0.85 ALDH1A1 (0.49) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL5427201 0.85 ALDH1A1 (0.49) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL15540491 0.85 ALDH1A1 (0.49) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL15540104 0.85 ALDH1A1 (0.50) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL8410359 0.80 AR (0.64) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL8540751 0.79 ALDH1A1 (0.50) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL20984658 0.78 HTT (0.47) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL20984695 0.78 ALDH1A1 (0.60) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL14166115 0.77 ALDH1A1 (0.49) HTTALDH1A1MAPTMEN1KMT2A

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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B HTT 3256/4885ALDH1A1 3278/4885MAPT 4772/4885

“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.