SCHEMBL1691912

SCHEMBL1691912

CC(C)(C)N(C(=O)O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 13/20 0.63
▸ NPC1 O15118 6/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ KDM4E B2RXH2 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 2/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ CLK1 P49759 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44

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
SCHEMBL3396058 0.75 NPC1 (0.62) APPNPC1RAB9APAX8KDM4E
SCHEMBL1691324 0.74 GABRA1 (0.41) NPC1RAB9AKDM4EGAAHPGD
SCHEMBL16594120 0.74 KMT2A (0.42) NPC1RAB9AKDM4EALDH1A1POLB
Trifluoroacetic Acid SCHEMBL2128124 0.73 APP (0.58) APPNPC1RAB9APAX8KDM4E
SCHEMBL7605200 0.73 NPC1 (0.77) APPNPC1RAB9APAX8KDM4E
SCHEMBL5048521 0.72 APP (1.00) APPNPC1RAB9APAX8
SCHEMBL973527 0.72 NPC1 (1.00) APPNPC1RAB9APAX8KDM4E
Bromide SCHEMBL1691457 0.71 NPC1 (0.75) APPNPC1RAB9APAX8KDM4E
SCHEMBL19322147 0.70 NPC1 (0.74) APPNPC1RAB9APAX8KDM4E
SCHEMBL22123558 0.70 MLLT1 (0.43) —

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-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS BIOVITRUM AB (PUBL) (SE) 2015-08-27 — — US disclosed
US-20140206662-A1 Imidazopyridine Compounds PROXIMAGEN LTD. (GB) 2014-07-24 — — US disclosed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 — — US disclosed
EP-2376490-A1 IMIDAZOPYRIDINE COMPOUNDS Proximagen Limited (GB) 2011-10-19 — — EP 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 (3 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-20120010188-A1 Imidazopyridine Compounds SSB, MIF, IDO1 APP 2459/4885NPC1 1153/4885RAB9A 3798/4885
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS SSB, MIF, IDO1 APP 2459/4885NPC1 1153/4885RAB9A 3798/4885
US-20140206662-A1 Imidazopyridine Compounds SSB, NFKBIA, TPMT APP 2152/4885NPC1 2286/4885RAB9A 3886/4885

“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.

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