SCHEMBL1460167

SCHEMBL1460167

O=[N+]([O-])c1ccccc1COc1cc[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 6/20 0.47
HTT P42858 3/20 0.47
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
AR P10275 1/20 0.43
HPGD P15428 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
RECQL P46063 1/20 0.41
MET P08581 1/20 0.40
KDM4A O75164 1/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 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
SCHEMBL8342103 0.79 KMT2A (0.54) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL28052574 0.76 AR (0.51) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL3125878 0.74 MAOB (0.68) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL10789091 0.74 NPC1 (0.68) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL8346092 0.74 HTT (0.49) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL18033994 0.74 ALDH1A1 (0.58) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL12006800 0.74 ALDH1A1 (0.58) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL77922 0.73 ALDH1A1 (0.62) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL1461334 0.73 IDO1 (0.47) NPC1RAB9AALDH1A1HTTTSHR
SCHEMBL7897679 0.73 MAOB (0.62) KMT2ANPC1RAB9AMAOBALDH1A1

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
CN-111454191-A Production device and method of 2- [ (N-p-chlorophenyl) -3-pyrazolyloxymethyl ] nitrobenzene 安徽国星生物化学有限公司 2020-07-28 CN disclosed
US-8933246-B2 Process for preparing 1-phenylpyrazoles BASF SE (DE) 2015-01-13 US disclosed
EP-2473485-B1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2014-04-23 EP disclosed
US-20130131352-A1 Process for Preparing 1-phenylpyrazoles BASF SE (DE) 2013-05-23 US disclosed
US-8362271-B2 Process for preparing 1-phenylpyrazoles BASF SE (DE) 2013-01-29 US disclosed
EP-2473485-A1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2012-07-11 EP disclosed
US-20120165544-A1 Process for Preparing 1-Phenylpyrazoles BASF SE (DE) 2012-06-28 US disclosed
CN-102482225-A Process for preparing 1-phenylpyrazoles BASF SE 2012-05-30 CN disclosed
WO-2011026937-A1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2011-03-10 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 (2 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-20130131352-A1 Process for Preparing 1-phenylpyrazoles CBR1, CBR3, CYP1A1 KMT2A 2503/4885NPC1 627/4885RAB9A 2594/4885
US-20120165544-A1 Process for Preparing 1-Phenylpyrazoles AP3B1, AP3M1, AP3D1 KMT2A 2269/4885NPC1 735/4885RAB9A 2833/4885

“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.