SCHEMBL16038153

SCHEMBL16038153

O=C(O)c1cccc(-c2cc[nH]n2)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
DDX3X O00571 1/20 0.43
EIF4E P06730 7/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FBP1 P09467 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2062065 0.81 ALDH1A1 (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL31174723 0.81 ALDH1A1 (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL14918727 0.80 HNF4A (0.49) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL1535274 0.77 RAB9A (0.46) TSHRMAPTLMNAALDH1A1HPGD
SCHEMBL9746118 0.77 ALDH1A1 (0.56) TSHRMAPTLMNAHTTDDX3X
SCHEMBL9746112 0.77 ALDH1A1 (0.56) TSHRMAPTLMNAHTTDDX3X
SCHEMBL16038154 0.77 FBP1 (0.41) TSHRMAPTEIF4EALDH1A1MEN1
SCHEMBL16038157 0.77 FBP1 (0.41) TSHRMAPTEIF4EALDH1A1MEN1
SCHEMBL14919171 0.77 MEN1 (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL16037019 0.76 ALDH1A1 (0.43) MAPTLMNAALDH1A1MEN1KMT2A

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-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS ELI LILLY AND COMPANY 2014-09-18 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-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS RARB, RARA, RARG TSHR 283/4885MAPT 4647/4885LMNA 4594/4885

“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.