SCHEMBL17487384

SCHEMBL17487384

Clc1cc(Br)cc2nc(N3CCCC3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PIM1 P11309 6/20 0.46
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MGLL Q99685 2/20 0.37
NPY5R Q15761 2/20 0.36

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
SCHEMBL17487366 0.73 NMT1 (0.31)
SCHEMBL4483813 0.72 BCHE (0.59) GFERNPC1TP53HPGDTSHR
SCHEMBL17595095 0.70 ALDH1A1 (0.41) NPC1HPGDRAB9ASMN1; SMN2CYP1A2
SCHEMBL13217758 0.67 GFER (0.51) GFERNPC1TP53HPGDTSHR
SCHEMBL31367966 0.66 MEN1 (0.35) GFERNPC1TP53HPGDTSHR
SCHEMBL31367988 0.66 ADORA1 (0.39) GFERNPC1TP53HPGDTSHR
SCHEMBL5162032 0.66 NPY5R (0.43) GFERNPC1TP53HPGDTSHR
SCHEMBL1759471 0.64 PIM1 (1.00) PIM1
SCHEMBL19167251 0.63 NPBWR1 (0.46) HPGDSMN1; SMN2ACHEMEN1KMT2A
SCHEMBL19167245 0.62 SIRT2 (0.47) HPGDACHEMEN1KMT2ANPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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 (1 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 GFER 100/4885NPC1 2764/4885TP53 2004/4885

“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.