SCHEMBL2468340

SCHEMBL2468340

COc1ccc2[nH]ccc2c1.O=[N+]([O-])c1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.56
CTSL P07711 1/20 0.56
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
SNCA P37840 2/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48
STAT1 P42224 1/20 0.48
HTT P42858 1/20 0.48
NPBWR1 P48145 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SAE1 Q9UBE0 1/20 0.48

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
SCHEMBL30597526 0.86 MAPT (0.54) POLBMAPTLMNAGAAMAOB
SCHEMBL28686 0.86 MAPT (0.54) POLBMAPTLMNAGAAMAOB
Ammonia Solution, Strong SCHEMBL28394313 0.85 MAPT (0.53) POLBMAPTLMNAGAAMAOB
Methane SCHEMBL27929615 0.85 MAPT (0.53) POLBMAPTLMNAGAAMAOB
SCHEMBL29164288 0.83 SNCA (0.56) CTSVCTSLMEN1MAPK1KMT2A
SCHEMBL74720 0.83 MEN1 (0.71) MEN1MAPK1KMT2APOLBMAPT
SCHEMBL29992449 0.83 MEN1 (0.71) MEN1MAPK1KMT2APOLBMAPT
Ammonia Solution, Strong SCHEMBL28589598 0.81 MEN1 (0.69) MEN1MAPK1KMT2APOLBMAPT
Hydrochloric Acid SCHEMBL27528155 0.81 MEN1 (0.69) MEN1MAPK1KMT2APOLBMAPT
Acetic Acid SCHEMBL28007455 0.81 POLB (0.48) MEN1MAPK1KMT2APOLBMAPT

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
EP-2550063-A1 ALR2 INHIBITORS AND THEIR SYNTHESIS FROM A NATURAL SOURCE Council of Scientific & Industrial Research (IN) 2013-01-30 EP disclosed
US-20120245357-A1 ALR2 INHIBITORS AND THEIR SYNTHESIS FROM A NATURAL SOURCE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-09-27 US disclosed
WO-2011117706-A1 ALR2 INHIBITORS AND THEIR SYNTHESIS FROM A NATURAL SOURCE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-29 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 (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-20120245357-A1 ALR2 INHIBITORS AND THEIR SYNTHESIS FROM A NATURAL SOURCE INSRR, AGTR2, ERG28 CTSV 4724/4885CTSL 4512/4885MEN1 1995/4885

“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.