SCHEMBL800092

SCHEMBL800092

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 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 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
SCHEMBL306159 0.89 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL306158 0.88 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL10193668 0.87 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL800095 0.83 POLB (0.41) LMNASMN1; SMN2TSHRKDM4ETDP1
SCHEMBL800605 0.81 TDP1 (0.43) LMNATSHRKDM4ETDP1ADRB2
SCHEMBL10193670 0.81 ALDH1A1 (0.41) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL304139 0.79 CA12 (0.39) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL800603 0.77 PTGS2 (0.43) ALDH1A1LMNASMN1; SMN2KMT2ANPC1
SCHEMBL800594 0.76 PARP10 (0.41) HSD17B10CA1CA2
SCHEMBL800506 0.74 NPC1 (0.42) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2

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 3 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-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 (2 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 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.