SCHEMBL15968334

SCHEMBL15968334

C[C@@H](COc1ccc([N+](=O)[O-])c(N)c1)NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
MTNR1A P48039 6/20 0.43
MTNR1B P49286 6/20 0.43
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCAR3 P49019 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL9110400 0.85 ALDH1A1 (0.48) MAPTALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL15295447 0.82 ALDH1A1 (0.51) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL9112581 0.79 ALDH1A1 (0.56) MAPTALDH1A1MTNR1AMTNR1BMAPK1
SCHEMBL9114780 0.77 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL13306853 0.77 MAPT (0.50) MAPTALDH1A1LMNAMAPK1
SCHEMBL20982738 0.76 MAPT (0.66) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL9114739 0.76 MTNR1A (0.58) MTNR1AMTNR1BTDP1
SCHEMBL11052562 0.76 MAPT (0.61) MAPTALDH1A1LMNAMAPK1TSHR
SCHEMBL11816404 0.74 MAPT (0.59) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL12281044 0.74 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1MEN1

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-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 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 (1 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 MAPT 3593/4885ALDH1A1 450/4885LMNA 2745/4885

“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.