SCHEMBL18548859

SCHEMBL18548859

COC(=O)/C=C(\C)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
GAA P10253 5/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD17B10 Q99714 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
THRB P10828 1/20 0.53
TSHR P16473 3/20 0.50
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
PTGS2 P35354 1/20 0.49
TAAR1 Q96RJ0 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL20291763 1.00 MAPT (0.58) MAPTGAAKDM4EHPGDNPC1
SCHEMBL15164801 1.00 MAPT (0.58) MAPTGAAKDM4EHPGDNPC1
SCHEMBL11345591 0.90 MAPT (0.53) MAPTGAAKDM4EHPGDNPC1
SCHEMBL3737335 0.85 MAPT (0.60) MAPTKDM4EHPGDNPC1RAB9A
SCHEMBL3737334 0.85 MAPT (0.60) MAPTKDM4EHPGDNPC1RAB9A
SCHEMBL13628941 0.85 MAPT (0.60) MAPTKDM4EHPGDNPC1RAB9A
SCHEMBL14482167 0.85 MAPT (0.50) MAPTGAAKDM4EHPGDNPC1
SCHEMBL14482166 0.85 MAPT (0.50) MAPTGAAKDM4EHPGDNPC1
SCHEMBL1974848 0.83 MAPT (0.51) MAPTGAAKDM4EHPGDNPC1
SCHEMBL1717228 0.83 MAPT (0.51) MAPTGAAKDM4EHPGDNPC1

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-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 US disclosed
WO-2017028797-A1 PHARMACEUTICAL COMPOSITION AND APPLICATION REPLACING QUINOLONE DERIVATIVE, PHARMACEUTICAL ACCEPTABLE SALT, OR STEREOISOMER 暨南大学 2017-02-23 WO 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-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof NRAS, AXL, ABL1 MAPT 4122/4885GAA 1090/4885KDM4E 1861/4885

“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.