SCHEMBL304221

SCHEMBL304221

[CH2]c1ccc(C(=O)N2CCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.68
HPGD P15428 2/20 0.61
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
ALDH1A1 P00352 1/20 0.52
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
EPHX2 P34913 1/20 0.47
RIPK1 Q13546 1/20 0.46
TDO2 P48775 1/20 0.46
CCNC P24863 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
SCHEMBL8358137 0.90 SIGMAR1 (0.81) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL8260488 0.85 SIGMAR1 (0.72) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL3583338 0.85 HPGD (0.73) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL23140495 0.83 SIGMAR1 (0.76) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL4505138 0.83 SIGMAR1 (0.70) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL2538732 0.82 HPGD (0.76) HPGDALDH1A1L3MBTL3L3MBTL1
SCHEMBL13600346 0.81 HPGD (0.70) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL1256167 0.81 SIGMAR1 (0.68) SIGMAR1HPGDALDH1A1RXFP1CCNC
SCHEMBL2336859 0.81 SIGMAR1 (0.68) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL5074802 0.81 SIGMAR1 (0.68) SIGMAR1HPGDMKNK1MKNK2ALDH1A1

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
CN-108047165-A A kind of benzoate compounds and preparation method and application 天津科技大学 2018-05-18 CN claimed
US-4505913-A Substituted anthranilamides and pharmaceutical preparations containing these compounds CIBA-GEIGY CORPORATION (US) 1985-03-19 US claimed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-3578562-A1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Anacor Pharmaceuticals, Inc (US) 2019-12-11 EP disclosed
EP-3455227-A1 OXABOROLE ESTERS AND USES THEREOF Anacor Pharmaceuticals, Inc (US) 2019-03-20 EP disclosed
CN-108047165-A A kind of benzoate compounds and preparation method and application 天津科技大学 2018-05-18 CN disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
CN-101267815-A metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA (JP) 2008-09-17 CN disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US disclosed
US-6579889-B2 Alzheier's diseases; antiallergens; vision defects; antihistamines; skin disorders MERCK & CO., INC. 2003-06-17 US disclosed
US-6403584-B1 CONJUNCTIVITIS, ALLERGIC RHINITIS, ALZHEIMER'S DISEASE, ASTHMA, ATHEROSCLEROSIS, AUTOLOGOUS BONE MARROW TRANSPLANTATION, ANTIINFLAMMATORY, ETC MERCK & CO., INC. 2002-06-11 US disclosed
US-20020019419-A1 Substituted isonipecotyl derivatives as inhibitors of cell adhesion MERCK & CO., INC. 2002-02-14 US disclosed
US-4505913-A Substituted anthranilamides and pharmaceutical preparations containing these compounds CIBA-GEIGY CORPORATION (US) 1985-03-19 US disclosed
US-4041032-A ANTIEMATICS, GASTRIC MOTILITY STIMULANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-08-09 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA SIGMAR1 2991/4885HPGD 775/4885MKNK1 2668/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 SIGMAR1 1855/4885HPGD 2258/4885MKNK1 4309/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 SIGMAR1 1855/4885HPGD 2258/4885MKNK1 4309/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 SIGMAR1 1855/4885HPGD 2258/4885MKNK1 4309/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 SIGMAR1 1855/4885HPGD 2258/4885MKNK1 4309/4885
US-20020019419-A1 Substituted isonipecotyl derivatives as inhibitors of cell adhesion VCAM1, ICAM1, CD4 SIGMAR1 4705/4885HPGD 2889/4885MKNK1 716/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 SIGMAR1 1855/4885HPGD 2258/4885MKNK1 4309/4885

“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.