SCHEMBL976342

SCHEMBL976342

Cc1c(-c2ccc(C=NN3CC(=O)NC3=O)o2)cccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
KMT2A Q03164 6/20 0.62
LMNA P02545 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
CYP1A2 P05177 3/20 0.62
MEN1 O00255 3/20 0.62
CISD1 Q9NZ45 2/20 0.62
CYP3A4 P08684 2/20 0.62
ABCB11 O95342 1/20 0.62
ADORA1 P30542 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 2/20 0.60
ABCC4 O15439 1/20 0.60
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
MAOA P21397 1/20 0.60
CASP7 P55210 1/20 0.60
MDM2 Q00987 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 6/20 0.49

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
SCHEMBL976207 0.80 KMT2A (0.71) MAPTKMT2ALMNATDP1CYP1A2
SCHEMBL16546406 0.80 KMT2A (0.71) MAPTKMT2ALMNATDP1CYP1A2
SCHEMBL975916 0.78 MAPT (0.77) MAPTKMT2ALMNATDP1CYP1A2
SCHEMBL975915 0.78 MAPT (0.77) MAPTKMT2ALMNATDP1CYP1A2
Dantrolene SCHEMBL56848 0.77 MAPT (1.00) MAPTKMT2ALMNATDP1CYP1A2
Dantrolene SCHEMBL40893 0.77 MAPT (1.00) MAPTKMT2ALMNATDP1CYP1A2
Dantrolene SCHEMBL2903716 0.76 MAPT (0.98) MAPTKMT2ALMNATDP1CYP1A2
Dantrolene SCHEMBL946529 0.76 MAPT (0.98) MAPTKMT2ALMNATDP1CYP1A2
Dantrolene SCHEMBL4223149 0.76 MAPT (0.98) MAPTKMT2ALMNATDP1CYP1A2
Dantrolene SCHEMBL2903719 0.76 MAPT (0.98) MAPTKMT2ALMNATDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015243-A2 CO-SOLVENT COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF DANTROLENE THERAPUTIC AGENTS US WORLDMEDS, LLC (US) 2011-01-20 US claimed
US-20090093531-A1 Co-Solvent Compositions and Methods for Improved Delivery of Dantrolene Therapeutic Agents US WORLDMEDS LLC 2009-04-09 US claimed
EP-2583670-A1 Co-solvent compositions and methods for improved delivery of dantrolene therapeutic agents US Worldmeds LLC (US) 2013-04-24 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 (2 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-20090093531-A1 Co-Solvent Compositions and Methods for Improved Delivery of Dantrolene Therapeutic Agents TERT, TBCA, TTR MAPT 677/4885KMT2A 1079/4885LMNA 1147/4885
US-20110015243-A2 CO-SOLVENT COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF DANTROLENE THERAPUTIC AGENTS TERT, TTR, TTPA MAPT 806/4885KMT2A 1043/4885LMNA 1583/4885

“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.