SCHEMBL140064

SCHEMBL140064

N#Cc1ccccc1N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPK1 P28482 1/20 0.57
HTT P42858 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NSD2 O96028 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL30748520 1.00 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL18315290 0.86 HSD17B10 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL10330185 0.86 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL3088832 0.86 DRD4 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL946142 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL18945536 0.83 HSD17B10 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL829177 0.82 AR (0.65) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL30406641 0.82 AR (0.59) KDM4EALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL3611154 0.81 AR (0.73) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9424119 0.81 LMNA (0.62) KDM4EALDH1A1HPGDHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114885607-B Quinolinylphosphine oxide compounds, compositions and uses thereof 贝达药业股份有限公司 2024-05-14 CN claimed
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-11-06 US claimed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US claimed
CN-114885607-B Quinolinylphosphine oxide compounds, compositions and uses thereof 贝达药业股份有限公司 2024-05-14 CN disclosed
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT 858 THERAPEUTICS, INC. 2024-03-28 US disclosed
CN-115215764-B Preparation method of deuterated aromatic nitrile compound 浙大宁波理工学院 2023-12-08 CN disclosed
CN-116234800-A Copper complexes for the treatment of neurodegenerative disorders ALS治疗发展学会 2023-06-06 CN disclosed
CN-115215764-A Preparation method of deuterated aromatic nitrile compound 浙大宁波理工学院 2022-10-21 CN disclosed
CN-113072460-B Morpholine derivative oxidation ring-opening method and product thereof 西南大学 2022-06-24 CN disclosed
CN-109456704-B Metal Chemical Mechanical Planarization (CMP) compositions and methods thereof 弗萨姆材料美国有限责任公司 2021-08-27 CN disclosed
CN-113072460-A Morpholine derivative oxidation ring-opening method and product thereof 西南大学 2021-07-06 CN disclosed
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 US disclosed
WO-2006035157-A2 SUBSTITUTED N-(BENZYL)PHENYLACETAMIDE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME AS PPAR LIGANDS IN THE TREATMENT OF LIPID AND/OR GLUCIDIC DISORDERS GENFIT (FR) 2006-04-06 WO disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 US disclosed
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO disclosed
US-6699695-B1 FOR EXAMPLE, CONVERTING 2-HYDROXY-4-METHYLTHIOBUTYRONITRILE INTO THE CORRESPONDING AMIDE, WHICH IS A PRECURSOR TO THE FEED SUPPLEMENT 2-HYDROXY-4-METHYLTHIOBUTYRIC ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-12-19 US disclosed
EP-1055724-A1 MICROORGANISMS AND PROCESS FOR PRODUCING AMIDE COMPOUNDS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 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 (6 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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS KDM4E 736/4885ALDH1A1 633/4885HPGD 1117/4885
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN KDM4E 2470/4885ALDH1A1 845/4885HPGD 817/4885
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases PMP22, MYT1, IKZF3 KDM4E 1833/4885ALDH1A1 1464/4885HPGD 2649/4885
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 KDM4E 1833/4885ALDH1A1 1464/4885HPGD 2649/4885
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT ACAT1, ACAT2, LCAT KDM4E 1604/4885ALDH1A1 1661/4885HPGD 1666/4885
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives MKI67, HRAS, VHL KDM4E 2757/4885ALDH1A1 1807/4885HPGD 394/4885

“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.