SCHEMBL3017265

SCHEMBL3017265

Cc1ccc(/C=C/C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
ALDH1A1 P00352 5/20 0.58
PTGS2 P35354 1/20 0.54
RAB9A P51151 4/20 0.52
ATM Q13315 1/20 0.52
PTGES O14684 1/20 0.52
TSHR P16473 2/20 0.51
CYP3A4 P08684 2/20 0.51
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MAOB P27338 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3017268 1.00 MAPT (0.62) MAPTALDH1A1PTGS2RAB9AATM
SCHEMBL8112559 0.88 MAPT (0.62) MAPTALDH1A1RAB9AATMPTGES
SCHEMBL4862498 0.88 PTGS2 (0.54) MAPTALDH1A1PTGS2RAB9AATM
SCHEMBL4862490 0.88 PTGS2 (0.54) MAPTALDH1A1PTGS2RAB9AATM
SCHEMBL4861773 0.86 PTGS2 (0.52) MAPTALDH1A1PTGS2RAB9AATM
SCHEMBL4861768 0.86 PTGS2 (0.52) MAPTALDH1A1PTGS2RAB9AATM
SCHEMBL15807295 0.84 MAPT (0.75) MAPTALDH1A1PTGS2RAB9AATM
SCHEMBL7204425 0.84 PTGS2 (0.50) MAPTALDH1A1PTGS2RAB9AATM
SCHEMBL7204421 0.84 PTGS2 (0.50) MAPTALDH1A1PTGS2RAB9AATM
SCHEMBL9658649 0.83 MAPT (0.64) MAPTPTGS2RAB9AMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-8278328-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO 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-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 MAPT 235/4885ALDH1A1 1041/4885PTGS2 2733/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 MAPT 235/4885ALDH1A1 1041/4885PTGS2 2733/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 MAPT 4685/4885ALDH1A1 13/4885PTGS2 20/4885

“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.