SCHEMBL5099396

SCHEMBL5099396

O=C1Nc2c(cc(-c3ccccc3)c3c2CCCC3)/C1=N/O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
PARP10 Q53GL7 2/20 0.35
PARP11 Q9NR21 2/20 0.35
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDGFRB P09619 2/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
MAPT P10636 3/20 0.33
LRRK2 Q5S007 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL5099399 1.00 ALDH1A1 (0.35) ALDH1A1MAPK1TP53TSHRPARP10
SCHEMBL3842153 0.85 PRCP (0.40) PARP10PARP11
SCHEMBL4373619 0.82 GRIA1 (0.37) ALDH1A1TP53KDM4ESMN1; SMN2MAPT
SCHEMBL8114854 0.82 CYP2C9 (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL8114848 0.82 CYP2C9 (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL4373620 0.82 GRIA1 (0.37) ALDH1A1TP53KDM4ESMN1; SMN2MAPT
SCHEMBL4373864 0.81 MAPK14 (0.32) ALDH1A1PARP10PARP11KDM4EHSD17B10
SCHEMBL3028481 0.80 CHRM2 (0.37)
SCHEMBL14311499 0.80 CHRM2 (0.37)
SCHEMBL14287279 0.80 HTR6 (0.37) ALDH1A1KDM4ELMNAHTTMAPT

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
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 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-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 ALDH1A1 4554/4885MAPK1 4169/4885TP53 4880/4885

“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.