SCHEMBL10258253

SCHEMBL10258253

CC(=O)/C=C/c1cnc2[nH]c(=O)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IAPP P10997 1/20 0.36
PTGS1 P23219 1/20 0.36
FDPS P14324 1/20 0.35
ESR1 P03372 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CREBBP Q92793 1/20 0.33
APP P05067 4/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL1254504 0.87 RAB9A (0.43) GLATDP1ESR1KMT2AGAA
SCHEMBL1254503 0.87 RAB9A (0.43) GLATDP1ESR1KMT2AGAA
Hydrochloric Acid SCHEMBL1253362 0.86 RAB9A (0.43) GLATDP1ESR1KMT2AGAA
Hydrochloric Acid SCHEMBL1253359 0.86 RAB9A (0.43) GLATDP1ESR1KMT2AGAA
SCHEMBL1253114 0.82 KDM4E (0.38) ESR1KMT2AHTTKDM4ESMN1; SMN2
SCHEMBL8627144 0.75 CREBBP (0.43) TDP1PDE3BPDE3AKDM4ECREBBP
SCHEMBL10258406 0.72 KDM4E (0.38) GLATDP1IAPPPTGS1FDPS
SCHEMBL1254008 0.71 ALOX5 (0.41) ESR1KMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL14493825 0.71 IAPP (0.41) GLATDP1IAPPPTGS1FDPS
SCHEMBL15810165 0.71 RAB9A (0.37) ESR1KMT2AGAAKDM4ESMN1; 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-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy BERMAN JUDD 2011-05-26 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 (2 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-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy NQO1, AADAC, SDHA GLA 549/4885TDP1 2282/4885IAPP 3565/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF GLA 16/4885TDP1 3004/4885IAPP 1113/4885

“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.