SCHEMBL306159

SCHEMBL306159

COC(=O)/C(Cc1ccc(OCCNC(=N)N)cc1)=C(\C(=O)OC)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
PPARD Q03181 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37

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
Hydrochloric Acid SCHEMBL306158 0.99 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL800092 0.89 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL10193670 0.85 ALDH1A1 (0.41) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL10193668 0.85 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL304366 0.83 KDM4E (0.41) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL304364 0.83 KDM4E (0.41) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL304139 0.83 CA12 (0.39) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL304076 0.83 CA12 (0.52) MTNR1AMTNR1BLMNASMN1; SMN2CA12
SCHEMBL304077 0.83 CA12 (0.52) MTNR1AMTNR1BLMNASMN1; SMN2CA12
SCHEMBL304237 0.81 TDP1 (0.43) LMNAKDM4ETDP1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US 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
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP 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-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA MTNR1A 822/4885MTNR1B 1139/4885ALDH1A1 372/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA MTNR1A 822/4885MTNR1B 1139/4885ALDH1A1 372/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA MTNR1A 798/4885MTNR1B 793/4885ALDH1A1 461/4885

“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.