SCHEMBL710642

SCHEMBL710642

C(=C/c1cnc2ccccc2n1)\c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.62
RELA Q04206 1/20 0.53
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
PTGS1 P23219 1/20 0.47
PKM P14618 1/20 0.47
GLA P06280 3/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NQO2 P16083 2/20 0.45

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
SCHEMBL710643 1.00 PAX8 (0.62) PAX8RELAPDGFRBPDGFRARAB9A
SCHEMBL12923109 0.86 PAX8 (0.63) PAX8PDGFRBPDGFRARAB9ANPC1
SCHEMBL710932 0.85 PAX8 (0.56) PAX8RELAPDGFRBPDGFRARAB9A
SCHEMBL31522348 0.81 RAB9A (0.71) RELARAB9ANPC1KDM4ELMNA
SCHEMBL711461 0.81 KDM4E (0.59) PAX8PDGFRBPDGFRARAB9ANPC1
SCHEMBL711460 0.81 KDM4E (0.59) PAX8PDGFRBPDGFRARAB9ANPC1
SCHEMBL710931 0.80 PAX8 (0.54) PAX8PDGFRBPDGFRARAB9ANPC1
SCHEMBL12884278 0.80 RAB9A (0.73) RELARAB9ANPC1KDM4ELMNA
SCHEMBL13167626 0.80 RELA (0.55) PAX8RELAPDGFRBPDGFRARAB9A
SCHEMBL708372 0.79 PAX8 (0.56) PAX8PDGFRBPDGFRARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB PAX8 4417/4885RELA 2662/4885PDGFRB 2744/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 PAX8 4618/4885RELA 3456/4885PDGFRB 3680/4885

“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.