SCHEMBL3590191

SCHEMBL3590191

O=C(NCc1ccccc1Cl)c1ccc(Br)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.73
KMT2A Q03164 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.59
TP53 P04637 1/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.55
HIF1A Q16665 1/20 0.55
POLB P06746 1/20 0.55
CASP6 P55212 1/20 0.54
EPHX2 P34913 1/20 0.54

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
SCHEMBL2912570 0.87 SMN1; SMN2 (0.82) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL3034646 0.85 SMN1; SMN2 (0.83) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL95008 0.84 SMN1; SMN2 (0.73) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL14531874 0.84 SMN1; SMN2 (0.73) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL13947384 0.84 SMN1; SMN2 (0.73) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL28649262 0.82 SMN1; SMN2 (0.69) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL1568246 0.81 SMN1; SMN2 (0.68) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL3583496 0.81 NPC1 (0.51) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL27917765 0.79 ALDH1A1 (0.51) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL28654120 0.79 SMN1; SMN2 (0.68) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
CN-101248049-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN disclosed
EP-1910308-A1 IMIDAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP disclosed
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
US-6995185-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-02-07 US disclosed
US-20040068122-A1 Delta1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-08 US disclosed
EP-1322608-A1 DELTA1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2003-07-02 EP disclosed
WO-2002024646-A1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-03-28 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 (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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 SMN1; SMN2 4301/4885KMT2A 988/4885NPC1 39/4885
US-20040068122-A1 Delta1-pyrrolines used as pesticides DDT, ADRA1D, OPRD1 SMN1; SMN2 1679/4885KMT2A 3327/4885NPC1 4206/4885

“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.