SCHEMBL1857009

SCHEMBL1857009

Cc1ccc(Cn2ccc([N+](=O)[O-])n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
F2 P00734 1/20 0.51
PLAU P00749 1/20 0.51
KLKB1 P03952 1/20 0.51
ELANE P08246 1/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
MEN1 O00255 1/20 0.44
DUSP3 P51452 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL17316285 0.88 LMNA (0.49) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1865930 0.86 LMNA (0.47) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17316432 0.86 PKM (0.52) LMNAF2PLAUKLKB1ELANE
SCHEMBL17316380 0.84 LMNA (0.47) LMNAALDH1A1GAAKMT2APKM
SCHEMBL21199265 0.84 SOS1 (0.52) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1866232 0.84 F2 (0.49) LMNAF2PLAUKLKB1ELANE
SCHEMBL17316613 0.84 LMNA (0.49) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1865091 0.84 LMNA (0.47) LMNAALDH1A1GAAKMT2APKM
SCHEMBL1861673 0.84 KMT2A (0.49) LMNARAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL17316803 0.84 CACNA1G (0.47) LMNARAB9ASMN1; SMN2NPC1ALDH1A1

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 14 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
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
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
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN 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 LMNA 1368/4885F2 586/4885PLAU 4460/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G LMNA 1368/4885F2 586/4885PLAU 4460/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G LMNA 1368/4885F2 586/4885PLAU 4460/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 LMNA 4599/4885F2 2844/4885PLAU 1115/4885

“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.