Dantrolene

Dantrolene

SCHEMBL946529

Cl.O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

RYR1RYR3

The experimentally established mechanism targets of Dantrolene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.98
MEN1 O00255 7/20 0.98
KMT2A Q03164 7/20 0.98
LMNA P02545 5/20 0.98
TDP1 Q9NUW8 3/20 0.98
CYP1A2 P05177 3/20 0.98
CISD1 Q9NZ45 2/20 0.98
CYP3A4 P08684 2/20 0.98
ABCB11 O95342 1/20 0.98
ADORA1 P30542 1/20 0.98
SMN1; SMN2 Q16637 3/20 0.66
KDM4E B2RXH2 1/20 0.66
ABCC4 O15439 1/20 0.66
TP53 P04637 1/20 0.66
TSHR P16473 1/20 0.66
MAOA P21397 1/20 0.66
CASP7 P55210 1/20 0.66
MDM2 Q00987 1/20 0.66
HSD17B10 Q99714 1/20 0.66
BLM P54132 1/20 0.64

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
Dantrolene SCHEMBL40893 0.99 MAPT (1.00) MAPTMEN1KMT2ALMNATDP1
Dantrolene SCHEMBL56848 0.99 MAPT (1.00) MAPTMEN1KMT2ALMNATDP1
Dantrolene SCHEMBL4223149 0.98 MAPT (0.98) MAPTMEN1KMT2ALMNATDP1
Dantrolene SCHEMBL29510578 0.98 MAPT (0.98) MAPTMEN1KMT2ALMNATDP1
Dantrolene SCHEMBL2903716 0.98 MAPT (0.98) MAPTMEN1KMT2ALMNATDP1
Dantrolene SCHEMBL2903719 0.98 MAPT (0.98) MAPTMEN1KMT2ALMNATDP1
Dantrolene SCHEMBL979318 0.98 MAPT (0.98) MAPTMEN1KMT2ALMNATDP1
Dantrolene SCHEMBL1074050 0.97 MAPT (0.96) MAPTMEN1KMT2ALMNATDP1
Dantrolene SCHEMBL1074048 0.97 MAPT (0.96) MAPTMEN1KMT2ALMNATDP1
Dantrolene SCHEMBL1074051 0.97 MAPT (0.96) MAPTMEN1KMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585690-A System and method for producing individualized individual unit doses containing a pharmaceutically active substance 阿奎斯蒂弗医疗股份有限公司 2021-03-30 CN disclosed
US-20120095386-A9 COMPOSITION AND DEVICE STRUCTURE FOR IONTOPHORESIS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-04-19 US disclosed
US-8155738-B2 Composition and device structure for iontophoresis HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-04-10 US disclosed
US-20110021972-A1 Composition and Device Structure For Iontophoresis HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2011-01-27 US disclosed
US-20040071765-A1 Composition and device structure for iontophoresis HISAMITSU PHARMACEUTICAL CO., LTD. 2004-04-15 US disclosed
EP-1080731-A2 Composition and device structure for iontophoresis HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2001-03-07 EP 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-20110021972-A1 Composition and Device Structure For Iontophoresis ASIC1, AQP1, PIEZO1 MAPT 1621/4885MEN1 271/4885KMT2A 3589/4885
US-20040071765-A1 Composition and device structure for iontophoresis ASIC1, AQP1, PIEZO1 MAPT 1487/4885MEN1 380/4885KMT2A 3424/4885
US-20120095386-A9 COMPOSITION AND DEVICE STRUCTURE FOR IONTOPHORESIS ASIC1, AQP1, PIEZO1 MAPT 1621/4885MEN1 271/4885KMT2A 3589/4885

“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.