SCHEMBL13390761

SCHEMBL13390761

NCCCNc1ccc(I)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
STK17A Q9UEE5 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KAT2B Q92831 2/20 0.33
IDO1 P14902 1/20 0.33
ACHE P22303 2/20 0.32
CHEK1 O14757 1/20 0.32
FERMT2 Q96AC1 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3294770 0.89 SYK (0.35) HRH3ALDH1A1HSD17B10SMN1; SMN2FERMT2
SCHEMBL3298966 0.80 HRH3 (0.45) HRH3MEN1KMT2ANPC1USP2
SCHEMBL6861106 0.78 MAPT (0.52) HRH3STK17AMEN1ALDH1A1HPGD
SCHEMBL8046837 0.78 HRH3 (0.45) HRH3STK17AMEN1ALDH1A1HPGD
SCHEMBL3298983 0.77 IL1B (0.45) MEN1ALDH1A1KMT2ARAB9A
SCHEMBL3025907 0.74 BRD4 (0.40) ALDH1A1HSD17B10MAPT
SCHEMBL12851854 0.73 NPC1 (0.63) NPC1USP2TP53RAB9ASMN1; SMN2
SCHEMBL11324922 0.70 GOT1 (0.52) HRH3STK17AMEN1ALDH1A1HPGD
SCHEMBL12198652 0.69 HRH3 (0.56) HRH3STK17AMEN1ALDH1A1HPGD
SCHEMBL29445680 0.69 HRH3 (0.56) HRH3STK17AMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 HRH3 4259/4885STK17A 1353/4885MEN1 4511/4885

“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.