SCHEMBL1317366

SCHEMBL1317366

CCOc1ccc([N+](=O)[O-])c(C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.48
MAOB P27338 2/20 0.48
MAPT P10636 6/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TXNRD1 Q16881 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 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
SCHEMBL1312986 0.87 MAOA (0.50) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL1313407 0.78 MAOA (0.49) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL10743303 0.78 MAOA (0.49) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL2302904 0.77 MAPT (0.53) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL10654156 0.77 MAOA (0.48) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL30271362 0.77 MAOA (0.48) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL1314809 0.77 MAOA (0.48) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL22140523 0.76 KMT2A (0.46) MAOBALDH1A1TXNRD1PKML3MBTL1
SCHEMBL12113606 0.76 TXNRD1 (0.51) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL1318082 0.75 MAPT (0.50) MAPTALDH1A1LMNAMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
EP-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 MAOA 1333/4885MAOB 1137/4885MAPT 2109/4885

“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.