SCHEMBL4474685

SCHEMBL4474685

O=C(c1ccccc1)c1ccc(-c2ccccc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
NQO2 P16083 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NOTUM Q6P988 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRD5A2 P31213 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 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
SCHEMBL27699479 0.90 KDM4E (0.53) PTPN1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL308253 0.82 KDM4E (0.69) PTPN1KDM4EHSD17B10USP2HPGD
SCHEMBL20420092 0.80 RAB9A (0.59) PTPN1ALDH1A1SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL6335114 0.80 KDM4E (0.67) PTPN1SMN1; SMN2KDM4EHSD17B10USP2
SCHEMBL27884299 0.78 NQO2 (0.51) PTPN1KDM4EHSD17B10USP2HPGD
SCHEMBL6335111 0.78 PTPN1 (0.50) PTPN1SMN1; SMN2KDM4EHSD17B10USP2
SCHEMBL10936301 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL7041871 0.78 HPGD (0.44) PTPN1ALDH1A1SMN1; SMN2KDM4EUSP2
SCHEMBL8269692 0.76 ALDH1A1 (0.46) PTPN1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8269689 0.76 HPGDS (0.53) PTPN1ALDH1A1SMN1; SMN2KDM4EHSD17B10

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 12 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
CN-101146769-A Azolylacylguanidines as beta-secretase inhibitors WYETH CORP (US) 2008-03-19 CN 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 PTPN1 2979/4885ALDH1A1 360/4885SMN1; SMN2 2907/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP PTPN1 2979/4885ALDH1A1 360/4885SMN1; SMN2 2907/4885

“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.