SCHEMBL17873244

SCHEMBL17873244

O=C(O)Nc1ccc(Br)c2c1COC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
HPGD P15428 3/20 0.34
HTT P42858 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
RAB9A P51151 6/20 0.33
NPC1 O15118 4/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CASP6 P55212 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL17873258 0.77 AAK1 (0.40) HTTRXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL31182208 0.77 AAK1 (0.40) HTTRXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL21955179 0.74 CYP2A13 (0.34)
SCHEMBL30915590 0.74 CYP2A13 (0.34)
SCHEMBL17873243 0.72 NPC1 (0.40) POLBRAB9ANPC1ALDH1A1KMT2A
SCHEMBL1978079 0.66 RXFP1 (0.71) HTTRXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL30567319 0.66 RXFP1 (0.51) POLBHPGDRXFP1RAB9ANPC1
SCHEMBL6674584 0.66 RXFP1 (0.51) POLBHPGDRXFP1RAB9ANPC1
SCHEMBL29250418 0.64 CYP1A2 (0.38) ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL15414259 0.64 GPR35 (0.37) POLBHTTRXFP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237410-B1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2020-12-16 EP disclosed
US-10273231-B2 Azoline compounds substituted by a condensed ring system BASF SE (DE) 2019-04-30 US disclosed
US-20190040050-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2019-02-07 US disclosed
US-10093662-B2 Azoline compounds substituted by a condensed ring system BASF SE (DE) 2018-10-09 US disclosed
US-20180002323-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2018-01-04 US disclosed
EP-3237410-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2017-11-01 EP disclosed
WO-2016102482-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2016-06-30 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 (4 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-20190040050-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM CUL5, CUL1, CUL3 POLB 2758/4885HPGD 3497/4885HTT 1021/4885
US-20180002323-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM CUL1, CRY1, CUL5 POLB 3106/4885HPGD 3189/4885HTT 1384/4885
US-10093662-B2 Azoline compounds substituted by a condensed ring system CUL1, CRY1, CUL5 POLB 3106/4885HPGD 3189/4885HTT 1384/4885
US-10273231-B2 Azoline compounds substituted by a condensed ring system CUL5, CUL1, CUL3 POLB 2758/4885HPGD 3497/4885HTT 1021/4885

“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.