SCHEMBL17316705

SCHEMBL17316705

N#Cc1ccc(Cn2ccc([N+](=O)[O-])n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 12/20 0.49
CACNA1G O43497 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
DAO P14920 1/20 0.36

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
SCHEMBL17316675 0.85 LMNA (0.39) CACNA1HCACNA1GCACNA1ILMNAALDH1A1
SCHEMBL17316704 0.84 LMNA (0.44) CACNA1HCACNA1GCACNA1ILMNAALDH1A1
SCHEMBL17316547 0.81 LMNA (0.47) CACNA1HCACNA1GCACNA1ILMNAALDH1A1
SCHEMBL17316539 0.81 LMNA (0.44) CACNA1HCACNA1GCACNA1ILMNAALDH1A1
SCHEMBL17316707 0.80 PKM (0.43) LMNAALDH1A1POLBKMT2APKM
SCHEMBL1867803 0.79 CYP19A1 (0.49) CACNA1HCACNA1GCACNA1ILMNAKMT2A
SCHEMBL17316560 0.79 LMNA (0.45) CACNA1HCACNA1GCACNA1ILMNAALDH1A1
SCHEMBL17316291 0.79 PKM (0.36) LMNAALDH1A1POLBKMT2APKM
SCHEMBL17316603 0.79 HDAC1 (0.49) CACNA1HCACNA1GCACNA1ILMNAALDH1A1
SCHEMBL17316377 0.79 LMNA (0.47) CACNA1HCACNA1GCACNA1ILMNAALDH1A1

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 7 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
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 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 (3 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 CACNA1H 4/4885CACNA1G 3/4885CACNA1I 2/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CACNA1H 4/4885CACNA1G 3/4885CACNA1I 2/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CACNA1H 4/4885CACNA1G 3/4885CACNA1I 2/4885

“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.