SCHEMBL15038855

SCHEMBL15038855

CC(OC(=O)Oc1ccc([N+](=O)[O-])cc1)n1nnc(Cc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
MGLL Q99685 2/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37

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
SCHEMBL15038852 0.80 HTR2A (0.43) HTR2AMGLLALDH1A1MAPTSMN1; SMN2
SCHEMBL15033721 0.79 CNR2 (0.43) HTR2AMGLLALDH1A1MAPTSMN1; SMN2
SCHEMBL12064912 0.74 CNR2 (0.43) HTR2AMGLLALDH1A1MAPTCYP19A1
SCHEMBL6403448 0.73 CYP19A1 (0.40) HTR2AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6403444 0.73 CYP19A1 (0.40) HTR2AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7418355 0.72 HTR2A (0.57) HTR2AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7296368 0.72 MEN1 (0.48) HTR2AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7296372 0.72 MEN1 (0.48) HTR2AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29592309 0.71 HTR2A (0.62) HTR2AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL389680 0.70 ALDH1A1 (0.52) HTR2AMGLLALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTR2A 3244/4885MGLL 871/4885ALDH1A1 1462/4885

“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.