SCHEMBL714074

SCHEMBL714074

Brc1ccc(/C=C/c2cnc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.56
RAB9A P51151 11/20 0.48
NPC1 O15118 8/20 0.48
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 5/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
DHFR P00374 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
GRM4 Q14833 1/20 0.39

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
SCHEMBL714075 1.00 PAX8 (0.56) PAX8RAB9ANPC1MAPTLMNA
SCHEMBL12923109 0.91 PAX8 (0.63) PAX8RAB9ANPC1MAPTLMNA
SCHEMBL711460 0.86 KDM4E (0.59) PAX8RAB9ANPC1MAPTLMNA
SCHEMBL711461 0.86 KDM4E (0.59) PAX8RAB9ANPC1MAPTLMNA
SCHEMBL708372 0.83 PAX8 (0.56) PAX8RAB9ANPC1MAPTLMNA
SCHEMBL712709 0.83 RAB9A (0.64) PAX8RAB9ANPC1MAPTLMNA
SCHEMBL710216 0.83 PAX8 (0.56) PAX8RAB9ANPC1MAPTLMNA
SCHEMBL708682 0.83 PAX8 (0.56) PAX8RAB9ANPC1MAPTLMNA
SCHEMBL708683 0.83 PAX8 (0.56) PAX8RAB9ANPC1MAPTLMNA
SCHEMBL708373 0.83 PAX8 (0.56) PAX8RAB9ANPC1MAPTLMNA

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
CN-112300085-A Alkenyl method of methyl heterocyclic compound 温州大学 2021-02-02 CN disclosed
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 4417/4885RAB9A 4723/4885NPC1 19/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 PAX8 4618/4885RAB9A 4606/4885NPC1 48/4885

“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.