SCHEMBL2118057

SCHEMBL2118057

O=c1ccc2cc([N+](=O)[O-])cc(-c3cccc4ccccc34)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
ALPL P05186 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NTRK1 P04629 1/20 0.40
NGFR P08138 1/20 0.40
ALOX5 P09917 2/20 0.40
CYP19A1 P11511 1/20 0.40
PTGES O14684 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTPRC P08575 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
S100A4 P26447 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
SCHEMBL2116388 0.80 CA12 (0.53) KDM4EALPLGAAALDH1A1BCHE
SCHEMBL2115904 0.79 KDM4E (0.50) KDM4EALPLGAAMEN1KMT2A
SCHEMBL2117668 0.78 KDM4E (0.45) KDM4EALPLGAAMEN1KMT2A
SCHEMBL6393406 0.74 PTPRC (0.65) TSHRTDP1KDM4EMAPTMEN1
SCHEMBL7276588 0.73 SMN1; SMN2 (0.47) TSHRTDP1MAPTMEN1KMT2A
SCHEMBL2115890 0.73 CA12 (0.49) TSHRTDP1MAPTMEN1KMT2A
SCHEMBL2116650 0.73 TDP1 (0.44) TSHRTDP1KDM4EMAPTGAA
SCHEMBL13689527 0.73 TDP1 (0.44) TSHRTDP1KDM4EMAPTGAA
SCHEMBL26129497 0.71 PTPRC (0.47) TSHRTDP1KDM4EMAPTMEN1
SCHEMBL17742495 0.70 TSHR (0.59) TSHRTDP1KDM4EMAPTALPL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 TSHR 4290/4885TDP1 2237/4885KDM4E 2805/4885

“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.