SCHEMBL3198381

SCHEMBL3198381

CC(=O)CC(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
GPR139 Q6DWJ6 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
PKM P14618 1/20 0.56
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HSD17B10 Q99714 1/20 0.54
POLB P06746 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL9726746 1.00 MAPT (0.63) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL1978152 1.00 MAPT (0.63) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL9936127 0.85 MAPT (0.63) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL5672188 0.84 MAPT (0.61) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL12975495 0.83 MAPT (0.65) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL7204764 0.83 MAPT (0.65) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL28845306 0.83 TSHR (0.64) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6083488 0.83 GPR139 (0.66) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL19285674 0.83 GPR139 (0.66) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL12975787 0.83 MAPT (0.65) MAPTGPR139ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048141-B1 OPTICALLY PURE DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES FOR THE PREPARATION OF A MEDICAMENT FOR TREATMENT AND PREVENTION OF VIRAL DISEASES. BEIJING MOLECULE SCIENCE AND TECH CO LTD (CN) 2017-06-14 EP disclosed
US-8329902-B2 Optically pure dihydropyrimidine compounds and their uses for the preparation of a medicament for treatment and prevention of viral diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2012-12-11 US disclosed
US-8329902-B2 Optically pure dihydropyrimidine compounds and their uses for the preparation of a medicament for treatment and prevention of viral diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2012-12-11 US disclosed
CN-101104617-B Dihydropyrimidine compounds and use of the same in preparing medicament for curing and preventing virosis BEIJING MOLIK SCIENCE & TECHNOLOGY CO LTD 2010-06-23 CN disclosed
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
US-20100004268-A1 Optically Pure Dihydropyrimidine Compounds and Their Uses for the Preparation of a Medicament for Treatment and Prevention of Viral Diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2010-01-07 US disclosed
US-20100004268-A1 Optically Pure Dihydropyrimidine Compounds and Their Uses for the Preparation of a Medicament for Treatment and Prevention of Viral Diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2010-01-07 US disclosed
EP-2048141-A1 OPTICAL PURE DIHYDROPYRIMIDINE COMPOUNDS, THEIR USES IN THE MANUFACTURE OF A MEDICAMNENT FOR THE TREATMENT OR THE PREVENTION OF VIROSIS DISEASES Beijing Molecule Science and Technology Co., Ltd. (CN) 2009-04-15 EP disclosed
CN-101104617-A Dihydropyrimidine compounds and use for the same in preparing medicament for curing and preventing virosis BEIJING MOLIK SCIENCE & TECHNO (CN) 2008-01-16 CN disclosed
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
US-5767127-A BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-16 US disclosed
EP-0488227-B1 Optically active pyridobenzoxazine derivatives DAIICHI SEIYAKU CO (JP) 1997-02-26 EP disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
US-5463053-A Antimicrobial compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-10-31 US disclosed
EP-0488227-A2 Optically active pyridobenzoxazine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-06-03 EP 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 (1 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-20100004268-A1 Optically Pure Dihydropyrimidine Compounds and Their Uses for the Preparation of a Medicament for Treatment and Prevention of Viral Diseases DPYD, DHPS, DHODH MAPT 1182/4885GPR139 4542/4885ALDH1A1 259/4885

“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.