SCHEMBL1237353

SCHEMBL1237353

O=C1c2ccccc2C(=O)N1C(CO)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GAA P10253 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
AADAT Q8N5Z0 1/20 0.48
IDO1 P14902 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HSD11B1 P28845 1/20 0.46

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
SCHEMBL3444977 1.00 ALDH1A1 (0.61) ALDH1A1GAATDP1POLBL3MBTL1
SCHEMBL1237351 1.00 ALDH1A1 (0.61) ALDH1A1GAATDP1POLBL3MBTL1
SCHEMBL16417482 0.90 ALDH1A1 (0.50) ALDH1A1GAATDP1POLBL3MBTL1
SCHEMBL8283046 0.87 CASP3 (0.50) ALDH1A1GAATDP1POLBL3MBTL1
SCHEMBL21226294 0.86 ALDH1A1 (0.47) ALDH1A1GAATDP1POLBL3MBTL1
SCHEMBL16414776 0.85 LMNA (0.50) ALDH1A1GAATDP1POLBL3MBTL1
SCHEMBL27903461 0.85 TDP1 (0.49) ALDH1A1GAATDP1POLBL3MBTL1
SCHEMBL21449400 0.85 ALDH1A1 (0.46) ALDH1A1GAATDP1POLBL3MBTL1
SCHEMBL1239670 0.84 TDP1 (0.62) ALDH1A1GAATDP1POLBL3MBTL1
SCHEMBL1239675 0.84 TDP1 (0.62) ALDH1A1GAATDP1POLBL3MBTL1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044226-B1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-06 EP disclosed
US-20160222021-A1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-04 US disclosed
EP-3044226-A1 ARYL ETHER-BASE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-07-20 EP disclosed
EP-2822952-B1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-06 EP disclosed
WO-2015038112-A1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-19 WO disclosed
US-8969564-B2 Aryl ether-base kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 US disclosed
EP-2822952-A1 ARYL ETHER-BASE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2015-01-14 EP disclosed
US-20140179725-A1 Aryl Ether-Base Kinase Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-26 US disclosed
US-8703953-B2 Aryl ether-base kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-22 US disclosed
WO-2013134036-A1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-12 WO disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 US disclosed
US-4235892-A AROMATIC ANTIBIOTICS Schering Corporation, Patent Dept. (US) 1980-11-25 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 (7 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-20140179725-A1 Aryl Ether-Base Kinase Inhibitors AAK1, NCK1, ADCK1 ALDH1A1 3028/4885GAA 3155/4885TDP1 1874/4885
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 ALDH1A1 451/4885GAA 1184/4885TDP1 614/4885
US-20160222021-A1 ARYL ETHER-BASE KINASE INHIBITORS AAK1, NCK1, ADCK1 ALDH1A1 3028/4885GAA 3155/4885TDP1 1874/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 ALDH1A1 58/4885GAA 1517/4885TDP1 4661/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 ALDH1A1 2019/4885GAA 2168/4885TDP1 2716/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 ALDH1A1 2061/4885GAA 2275/4885TDP1 3338/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 ALDH1A1 1375/4885GAA 3067/4885TDP1 159/4885

“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.