SCHEMBL17025564

SCHEMBL17025564

O=C(c1ccc(Cl)cc1)c1ccc2nccc(Br)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.42
SRD5A2 P31213 1/20 0.42
NR4A2 P43354 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CHEK2 O96017 2/20 0.38

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
SCHEMBL5757121 0.85 MAPKAPK2 (0.45) MAPKAPK2HTTMAPK1SRD5A2NR4A2
SCHEMBL5757586 0.82 MAPKAPK2 (0.43) MAPKAPK2HTTMAPK1SRD5A2NR4A2
SCHEMBL5757564 0.81 LMNA (0.52) MAPKAPK2HTTMAPK1SRD5A2HPGD
SCHEMBL5758369 0.81 MAPKAPK2 (0.43) MAPKAPK2HTTMAPK1SRD5A2NR4A2
SCHEMBL1285313 0.80 KDM4E (0.46) MAPKAPK2MAPK1KMT2AMEN1NPC1
SCHEMBL17025693 0.79 SRD5A2 (0.46) MAPK1SRD5A2KMT2AMEN1SMN1; SMN2
SCHEMBL6862365 0.79 PIK3CA (0.51) MAPKAPK2HTTMAPK1SRD5A2NPC1
SCHEMBL29895443 0.79 NR4A2 (0.61) NR4A2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11772672 0.79 NR4A2 (0.61) NR4A2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL1644091 0.78 SLC2A1 (0.53) HTTMAPK1KMT2AMEN1NPC1

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-9464055-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 US disclosed
US-9266835-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 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-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 MAPKAPK2 2387/4885HTT 1884/4885MAPK1 1683/4885
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 MAPKAPK2 2387/4885HTT 1884/4885MAPK1 1683/4885

“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.