SCHEMBL4495822

SCHEMBL4495822

c1ccc(-c2ccc(Cc3cccs3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HIF1A Q16665 1/20 0.39
ESR2 Q92731 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 1/20 0.36
IDO1 P14902 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR6 P50406 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4491047 0.74 CYP1A2 (0.53) CYP2C9CYP1A2HSD17B10TSHRSMN1; SMN2
SCHEMBL27768193 0.73 POLB (0.45) ADRA1DHSD17B10LMNATSHRSMN1; SMN2
SCHEMBL5538742 0.71 HPGD (0.46) ADRA1DCYP2C9CYP1A2HSD17B10LMNA
SCHEMBL4489068 0.70 HSD17B10 (0.45) CYP2C9CYP1A2HSD17B10LMNAKDM4E
SCHEMBL5537045 0.70 ADRA1D (0.45) ADRA1DCYP2C9HSD17B10LMNATSHR
SCHEMBL10629184 0.69 CYP17A1 (0.44) CYP2C9LMNATSHRSMN1; SMN2KDM4E
SCHEMBL11836664 0.69 CYP2C9 (0.51) ADRA1DCYP2C9SMN1; SMN2KDM4EPOLB
SCHEMBL22734764 0.69 CYP1A2 (0.55) CYP2C9CYP1A2HSD17B10SMN1; SMN2KDM4E
SCHEMBL28170953 0.69 CYP1A2 (0.59) CYP2C9CYP1A2HSD17B10SMN1; SMN2KDM4E
SCHEMBL559559 0.69 TAAR1 (0.56) ADRA1DCYP2C9HSD17B10LMNATSHR

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 ADRA1D 1449/4885CYP2C9 1152/4885CYP1A2 1411/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP ADRA1D 1449/4885CYP2C9 1152/4885CYP1A2 1411/4885

“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.