SCHEMBL3551362

SCHEMBL3551362

N=C(NN)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.66
PRSS2 P07478 1/20 0.66
PRSS3 P35030 1/20 0.66
TSHR P16473 4/20 0.60
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
TP53 P04637 1/20 0.57
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
BLM P54132 1/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
Hydrochloric Acid SCHEMBL4399781 0.98 PRSS1 (0.69) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL2227754 0.85 PRSS1 (0.63) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL14599583 0.83 PRSS1 (0.61) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL432613 0.81 KMT2A (0.69) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL30163119 0.81 KMT2A (0.69) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL2762350 0.81 PRSS1 (0.96) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL24934033 0.80 TSHR (0.60) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL24933536 0.80 ALDH1A1 (0.64) PRSS1PRSS2PRSS3TSHRCES2
Hydrochloric Acid SCHEMBL1262882 0.79 PRSS1 (1.00) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL8348890 0.79 TSHR (0.55) TSHRCES2CES1ALDH1A1KMT2A

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
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 US disclosed
US-3962240-A PROCESS FOR THE PREPARATION OF FURO(3,4-E)-AS-TRIAZINES SANDOZ, INC. (US) 1976-06-08 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-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 PRSS1 1242/4885PRSS2 2195/4885PRSS3 1798/4885

“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.