SCHEMBL800506

SCHEMBL800506

CC(C)/C=C(\Cc1ccc(OCCNC(=N)N)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARD Q03181 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTNR1A P48039 2/20 0.39

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
SCHEMBL800614 0.82 LTA4H (0.44)
SCHEMBL10193670 0.80 ALDH1A1 (0.41) NPC1RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL800089 0.79 CYP19A1 (0.43) MAPTKDM4ELMNASMN1; SMN2TSHR
SCHEMBL800784 0.76 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2PPARDALOX15
SCHEMBL800077 0.75 HTT (0.54) NPC1RAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL800092 0.74 MTNR1A (0.43) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL306159 0.74 MTNR1A (0.40) NPC1RAB9AALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL306158 0.73 MTNR1A (0.40) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL304139 0.73 CA12 (0.39) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL800076 0.72 PLA2G10 (0.45) MAPTL3MBTL1CA2TSHRHSD17B10

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 5 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-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA NPC1 2815/4885RAB9A 2261/4885MAPT 2687/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 NPC1 515/4885RAB9A 2742/4885MAPT 1971/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA NPC1 2708/4885RAB9A 2123/4885MAPT 2972/4885

“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.