SCHEMBL16038154

SCHEMBL16038154

O=C(O)c1ccc([N+](=O)[O-])c(-c2ccccc2)c1-c1cc[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.41
EIF4E P06730 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
DTYMK P23919 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MYC P01106 1/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL16038157 1.00 FBP1 (0.41) FBP1EIF4ETSHRTP53MAPT
SCHEMBL16038153 0.77 TSHR (0.48) FBP1EIF4ETSHRMAPTALDH1A1
SCHEMBL14919172 0.76 MEN1 (0.46) TP53ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16037020 0.75 ALDH1A1 (0.37) TP53ALDH1A1
SCHEMBL30388619 0.74 FBP1 (0.46) FBP1TSHRMAPTALDH1A1DTYMK
SCHEMBL593074 0.73 TSHR (0.60) FBP1TSHRTP53MAPTALDH1A1
SCHEMBL14918728 0.73 HNF4A (0.53) TSHRMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL14918727 0.73 HNF4A (0.49) MAPTALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL29073837 0.73 ALDH1A1 (0.41) TSHRMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL29029506 0.73 FBP1 (0.45) FBP1TSHRMAPTALDH1A1DTYMK

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 FBP1 3271/4885EIF4E 3953/4885TSHR 283/4885

“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.