SCHEMBL1839656

SCHEMBL1839656

N#Cc1ccccc1-c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
PRKAG1 P54619 3/20 0.41
PRKAA1 Q13131 3/20 0.41
PRKAB1 Q9Y478 3/20 0.41
PPARG P37231 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP19A1 P11511 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
ESR2 Q92731 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
SCHEMBL1838065 0.80 SOS1 (0.59) ALDH1A1PKMPRKAG1PRKAA1PRKAB1
SCHEMBL1839643 0.80 TAAR1 (0.48) ALDH1A1PKMTAAR1L3MBTL1
SCHEMBL2979131 0.79 TAAR1 (0.59) ALDH1A1PKMNPC1LMNAMAPT
SCHEMBL28116298 0.78 PRKAG1 (0.43) ALDH1A1PRKAG1PRKAA1PRKAB1PPARG
SCHEMBL2548788 0.76 ALDH1A1 (0.51) ALDH1A1PKMNPC1LMNAMAPT
SCHEMBL1841582 0.76 ALDH1A1 (0.43) ALDH1A1PKMNPC1LMNAMAPT
SCHEMBL1839727 0.75 CYP11B1 (0.44) PRKAG1PRKAA1PRKAB1PPARGCYP19A1
SCHEMBL21199185 0.73 SOS1 (0.58) ALDH1A1PKMNPC1LMNAMAPT
SCHEMBL1842175 0.73 ALDH1A1 (0.60) ALDH1A1PPARGLMNA
SCHEMBL1839256 0.70 ESR2 (0.39) ALDH1A1PRKAG1PRKAA1PRKAB1PPARG

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
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US claimed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US claimed
EP-2321281-A2 ANTI INFLAMMATORY COMPOUNDS Elder Pharmaceuticals Ltd (IN) 2011-05-18 EP claimed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO claimed
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 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 (1 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-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS IL1B, LITAF, IL6 ALDH1A1 197/4885PKM 2479/4885PRKAG1 4497/4885

“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.