SCHEMBL4485908

SCHEMBL4485908

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.69
NPC1 O15118 1/20 0.69
NR4A2 P43354 1/20 0.65
HSD11B1 P28845 2/20 0.64
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
HTR7 P34969 1/20 0.60
MAPT P10636 4/20 0.59
LMNA P02545 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 3/20 0.59
CYP2C19 P33261 2/20 0.59
GAA P10253 1/20 0.59
PTPN1 P18031 1/20 0.57
CYP1A2 P05177 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
FFAR1 O14842 1/20 0.57
HIF1A Q16665 1/20 0.57
HTR1A P08908 1/20 0.55

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
SCHEMBL28197598 0.92 NPC1 (0.84) RAB9ANPC1NR4A2HSD11B1KMT2A
SCHEMBL26584242 0.91 NPC1 (0.82) RAB9ANPC1HSD11B1KMT2AMEN1
SCHEMBL315309 0.87 RAB9A (0.69) RAB9ANPC1NR4A2HSD11B1KMT2A
SCHEMBL10731900 0.87 MEN1 (0.74) RAB9ANPC1HSD11B1KMT2AMEN1
SCHEMBL30121738 0.86 NR4A2 (0.85) RAB9ANPC1NR4A2HSD11B1KMT2A
SCHEMBL719034 0.86 NR4A2 (0.85) RAB9ANPC1NR4A2HSD11B1KMT2A
SCHEMBL28012695 0.84 NPC1 (0.65) RAB9ANPC1HSD11B1HTR7LMNA
SCHEMBL659281 0.84 NPC1 (0.59) RAB9ANPC1NR4A2HSD11B1KMT2A
SCHEMBL13770482 0.83 NPC1 (0.69) RAB9ANPC1HSD11B1KMT2AMEN1
SCHEMBL21424286 0.82 KMT2A (0.73) KMT2AMEN1L3MBTL1CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
CN-106966877-B 1, 4-dicarbonyl compound and preparation method thereof 郑州大学 2020-02-07 CN 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-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 (3 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 RAB9A 1611/4885NPC1 267/4885NR4A2 2173/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP RAB9A 1611/4885NPC1 267/4885NR4A2 2173/4885
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND KNTC1, MED1, LEF1 RAB9A 1996/4885NPC1 601/4885NR4A2 1533/4885

“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.