SCHEMBL2118795

SCHEMBL2118795

CC(=O)c1cccc(N[N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 2/20 0.50
CREBBP Q92793 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MITF O75030 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL28211098 0.84 MAPT (0.57) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10385139 0.80 KMT2A (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL7871383 0.79 MEN1 (0.46) ALDH1A1KMT2AMEN1RAB9AMAPK1
SCHEMBL28879978 0.77 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6217152 0.76 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6217154 0.76 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL5340030 0.76 MEN1 (0.89) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL7768635 0.76 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL30478066 0.76 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL474709 0.76 KMT2A (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 US disclosed
EP-2150550-B1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO LTD (KR) 2013-02-27 EP disclosed
US-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS SK HOLDINGS CO. LTD. (KR) 2012-04-19 US disclosed
EP-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 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-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS OPRL1, OPRD1, TRPV1 ALDH1A1 257/4885KMT2A 2621/4885MEN1 4814/4885

“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.