SCHEMBL4472849

SCHEMBL4472849

O=C(CCC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
NPC1 O15118 3/20 0.70
MAPT P10636 3/20 0.70
RAB9A P51151 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
TP53 P04637 2/20 0.70
LMNA P02545 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
TSHR P16473 1/20 0.70
STAT1 P42224 1/20 0.70
HSD17B10 Q99714 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
KMT2A Q03164 3/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
GFER P55789 1/20 0.59
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59

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
SCHEMBL5505886 0.93 HTR1A (0.69) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL14982135 0.84 NPC1 (0.77) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2742812 0.84 NPC1 (0.96) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4432092 0.83 HDAC1 (0.63) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11763488 0.83 RAB9A (0.61) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10605457 0.83 RAB9A (0.61) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3380367 0.83 HDAC1 (0.72) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27324610 0.83 MAPT (0.59) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL14982061 0.82 NPC1 (1.00) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10623684 0.82 RAB9A (0.60) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US 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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP ALDH1A1 360/4885NPC1 267/4885MAPT 30/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 360/4885NPC1 267/4885MAPT 30/4885

“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.