SCHEMBL3282298

SCHEMBL3282298

COc1ccc(Br)cc1CNc1cccc(-c2c(-c3ccccc3)nnc3c(Cl)cccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.60
NR1H3 Q13133 5/20 0.60
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 1/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL3278640 0.86 NR1H2 (0.66) NR1H2NR1H3MAPTALDH1A1KDM4E
SCHEMBL3278875 0.84 NR1H2 (0.60) NR1H2NR1H3MAPTMEN1KMT2A
SCHEMBL3282284 0.80 NR1H2 (0.75) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3279138 0.79 NR1H2 (0.69) NR1H2NR1H3GAAPPARGPPARD
SCHEMBL3278232 0.79 NR1H2 (0.65) NR1H2NR1H3MAPTALDH1A1GAA
SCHEMBL3282268 0.77 NR1H2 (0.65) NR1H2NR1H3MAPTALDH1A1KDM4E
SCHEMBL3280350 0.76 NR1H2 (0.64) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3279834 0.76 NR1H2 (0.78) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3278045 0.76 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3283091 0.75 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA

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-7700595-B2 such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) WYETH LLC (US) 2010-04-20 US disclosed
US-20060252757-A1 Cinnoline compounds WYETH 2006-11-09 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-20060252757-A1 Cinnoline compounds NR1H3, NR1H2, CNR1 NR1H2 2/4885NR1H3 1/4885MAPT 4016/4885

“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.