SCHEMBL9978689

SCHEMBL9978689

[Hg].c1ccc(Cn2cnnn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.53
HMOX1 P09601 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
TP53 P04637 1/20 0.44
NOTUM Q6P988 1/20 0.44
LTA4H P09960 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL2532477 0.98 CYP19A1 (0.55) CYP19A1HMOX1L3MBTL1KDM4EMAPK1
Formic Acid SCHEMBL27858140 0.88 HMOX1 (0.54) CYP19A1HMOX1L3MBTL1KDM4EMAPK1
SCHEMBL10289108 0.87 HSP90AB1 (0.49) CYP19A1HMOX1L3MBTL1KDM4EMAPK1
SCHEMBL31415785 0.84 CYP19A1 (0.61) CYP19A1
SCHEMBL10965028 0.80 KDM4E (0.50) CYP19A1HMOX1L3MBTL1KDM4EMAPK1
SCHEMBL23913862 0.80 MAPK1 (0.53) CYP19A1HMOX1L3MBTL1KDM4EMAPK1
SCHEMBL9584318 0.80 KDM4E (0.49) CYP19A1HMOX1L3MBTL1KDM4EMAPK1
SCHEMBL27629323 0.80 MEN1 (0.58) CYP19A1HMOX1L3MBTL1KDM4EMAPK1
SCHEMBL10066409 0.80 MEN1 (0.54) CYP19A1HMOX1L3MBTL1KDM4EMAPK1
SCHEMBL27706311 0.78 HMOX1 (0.59) HMOX1MEN1KMT2AALDH1A1TP53

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 CYP19A1 183/4885HMOX1 894/4885L3MBTL1 4530/4885

“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.