SCHEMBL9978690

SCHEMBL9978690

[Hg].c1ccc(Cc2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 2/20 0.44
DAO P14920 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
CALM1 P0DP23 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
ALPL P05186 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL232998 0.98 NR1H2 (0.46) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL5173931 0.96 NR1H2 (0.44) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL11534430 0.87 DAO (0.33) NR1H2NR1H3DAOTAAR1GAA
SCHEMBL8210477 0.87 NR1H2 (0.45) NR1H2NR1H3DAOTAAR1NPC1
SCHEMBL8534048 0.83 GRIN1 (0.52)
SCHEMBL9447366 0.80 POLB (0.40) DAOTAAR1NPC1POLBRAB9A
SCHEMBL4715479 0.80 DAO (0.47) DAOTAAR1NPC1RAB9AALPL
SCHEMBL4573094 0.78 CYP3A4 (0.48) GAANPC1POLBRAB9AALDH1A1
SCHEMBL6505678 0.78 NR1H2 (0.41) NR1H2DAOPOLBKMT2AALDH1A1
SCHEMBL18496473 0.78 ESR1 (0.48) GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576575-B1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF UNIV FRASER SIMON (CA) 2018-09-05 EP disclosed
US-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 US disclosed
EP-2576575-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF Simon Fraser University (CA) 2013-04-10 EP disclosed
WO-2011147034-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2011-12-01 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-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF PTGES, PTGFR, PTGIS NR1H2 1369/4885NR1H3 1430/4885DAO 1526/4885

“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.