SCHEMBL3583496

SCHEMBL3583496

N=C(NCc1ccccc1Cl)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3590191 0.81 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL7979447 0.79 GRIN1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL13437650 0.77 L3MBTL1 (0.54) SMN1; SMN2KMT2AALDH1A1MEN1HTT
SCHEMBL5068038 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL15928202 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4023664 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4797245 0.71 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL973283 0.70 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL31147870 0.69 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL11199099 0.69 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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 19 patents. 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
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
CN-101248049-B Imidazole based lxr modulators EXELIXIS INC 2013-08-28 CN disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 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
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

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 NPC1 39/4885RAB9A 2669/4885SMN1; SMN2 4301/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 NPC1 98/4885RAB9A 1960/4885SMN1; SMN2 4702/4885

“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.