SCHEMBL9112581

SCHEMBL9112581

C[C@@H](COc1ccc([N+](=O)[O-])cc1)NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL8771902 0.83 MAPT (0.51) ALDH1A1MAPTMTNR1AMTNR1BGAA
SCHEMBL9339362 0.81 MAPT (0.56) ALDH1A1MAPTGAAPKMMAPK1
SCHEMBL15641638 0.80 MTNR1A (0.59) MTNR1AMTNR1BMAPK1MEN1KMT2A
SCHEMBL9110400 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMTNR1AMTNR1BMEN1
SCHEMBL15968334 0.79 MAPT (0.58) ALDH1A1MAPTMTNR1AMTNR1BMAPK1
SCHEMBL9114739 0.79 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL21749916 0.79 MTNR1A (0.58) ALDH1A1MAPTMTNR1AMTNR1BMEN1
SCHEMBL21749917 0.79 MTNR1A (0.58) ALDH1A1MAPTMTNR1AMTNR1BMEN1
SCHEMBL18261069 0.79 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL9111530 0.79 MTNR1A (0.58) MTNR1AMTNR1B

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
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 ALDH1A1 172/4885MAPT 3737/4885MTNR1A 2074/4885

“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.