SCHEMBL1861673

SCHEMBL1861673

COc1ccc(Cn2ccc([N+](=O)[O-])n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CACNA1G O43497 3/20 0.47
CACNA1H O95180 3/20 0.47
CACNA1I Q9P0X4 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DCTPP1 Q9H773 3/20 0.44
CMA1 P23946 1/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL17316399 0.84 HDAC1 (0.50) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL17316285 0.84 LMNA (0.49) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL1857009 0.84 LMNA (0.52) KMT2AMEN1CACNA1GCACNA1HCACNA1I
SCHEMBL17316638 0.82 LMNA (0.42) KMT2AMEN1LMNAPKM
SCHEMBL17316305 0.82 CACNA1H (0.47) KMT2AMEN1CACNA1GCACNA1HCACNA1I
SCHEMBL17316771 0.82 CACNA1G (0.50) KMT2AMEN1CACNA1GCACNA1HCACNA1I
SCHEMBL1865930 0.82 LMNA (0.47) KMT2AMEN1CACNA1GCACNA1HCACNA1I
SCHEMBL17316432 0.82 PKM (0.52) KMT2AMEN1LMNAPKM
SCHEMBL185087 0.81 LMNA (0.53) KMT2AMEN1SMN1; SMN2LMNARAB9A
SCHEMBL17316797 0.81 MAPT (0.41) KMT2AMEN1MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
CN-105669558-B Benzyl -1H- pyrazoles, benzyl -1H- azole derivatives and its preparation method and application 四川大学 2019-01-22 CN disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US disclosed
CN-106414429-A Pyrazole compounds and their use as T-type calcium channel blockers 埃科特莱茵药品有限公司 2017-02-15 CN disclosed
CN-106146400-A Benzyl-1H-pyrazoles, benzyl-1H-azole derivatives and its production and use 四川大学 2016-11-23 CN disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 WO disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (4 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G KMT2A 4227/4885MEN1 711/4885CACNA1G 3/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G KMT2A 4227/4885MEN1 711/4885CACNA1G 3/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G KMT2A 4227/4885MEN1 711/4885CACNA1G 3/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 KMT2A 4296/4885MEN1 4026/4885CACNA1G 3569/4885

“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.