SCHEMBL6775231

SCHEMBL6775231

COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
CYP19A1 P11511 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
NPBWR1 P48145 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPRC P08575 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
S100A4 P26447 1/20 0.43

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
SCHEMBL14812007 0.85 MAPT (0.49) RORCSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6775511 0.85 ALDH1A1 (0.53) RORCCYP19A1SMN1; SMN2ALDH1A1NPBWR1
SCHEMBL30338973 0.83 PTGDR2 (0.54) POLBALDH1A1LMNAHTTRAB9A
SCHEMBL5935194 0.83 PTGDR2 (0.54) POLBALDH1A1LMNAHTTRAB9A
SCHEMBL6775138 0.83 ALOX5 (0.48) RORCSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL1163261 0.81 ADRB2 (0.56) SMN1; SMN2POLBALDH1A1GAAHTT
SCHEMBL2267132 0.79 SLC6A3 (0.51) SMN1; SMN2POLBALDH1A1LMNAHTT
SCHEMBL7570354 0.79 KDM4E (0.53) SMN1; SMN2ALDH1A1LMNAGAANPC1
SCHEMBL22256464 0.79 MAPT (0.47) SMN1; SMN2ALDH1A1LMNAHTTMEN1
SCHEMBL5888778 0.78 HTT (0.44) SMN1; SMN2POLBALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 RORC 3104/4885CYP19A1 4183/4885SMN1; SMN2 4777/4885

“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.