SCHEMBL17316613

SCHEMBL17316613

CC(C)(C)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
HDAC1 Q13547 1/20 0.46
HSP90AA1 P07900 3/20 0.46
HSP90AB1 P08238 3/20 0.46
HTT P42858 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 4/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL28116677 0.86 LMNA (0.52) LMNAHDAC1ALDH1A1KMT2APKM
SCHEMBL17316285 0.84 LMNA (0.49) LMNAHDAC1ALDH1A1MAPTRAB9A
SCHEMBL1857009 0.84 LMNA (0.52) LMNAHDAC1ALDH1A1RAB9ANPC1
SCHEMBL17316432 0.82 PKM (0.52) LMNAHDAC1ALDH1A1KMT2APKM
SCHEMBL1865930 0.82 LMNA (0.47) LMNAHDAC1ALDH1A1MAPTRAB9A
SCHEMBL21199265 0.81 SOS1 (0.52) LMNAHDAC1HTTALDH1A1NPSR1
SCHEMBL17316380 0.81 LMNA (0.47) LMNAHDAC1ALDH1A1MAPTKMT2A
SCHEMBL1866232 0.80 F2 (0.49) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL1865091 0.80 LMNA (0.47) LMNAHDAC1ALDH1A1KMT2APKM
SCHEMBL1861673 0.80 KMT2A (0.49) LMNAHSP90AA1HSP90AB1MAPTRAB9A

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 LMNA 1368/4885HDAC1 1037/4885HSP90AA1 4681/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G LMNA 1368/4885HDAC1 1037/4885HSP90AA1 4681/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G LMNA 1368/4885HDAC1 1037/4885HSP90AA1 4681/4885

“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.