SCHEMBL5218396

SCHEMBL5218396

COc1ccc(COC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
RECQL P46063 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
MAOB P27338 1/20 0.45
BACE1 P56817 1/20 0.44

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
SCHEMBL12089122 0.89 SMN1; SMN2 (0.50) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7210303 0.87 MAPT (0.52) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7210307 0.84 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7210312 0.84 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL14714240 0.84 KMT2A (0.42) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL27736701 0.82 CYP1A2 (0.59) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL19193928 0.82 TSHR (0.50) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL14099278 0.82 ALDH1A1 (0.55) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7109468 0.81 ALDH1A1 (0.54) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL27732126 0.81 KDM4E (0.40) MAPTALDH1A1RAB9AMEN1KMT2A

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-9073969-B2 Compounds and methods for purifying peptides produced by solid phase peptide synthesis Centre National de la Recherche Scientifique—CNRS (FR) 2015-07-07 US disclosed
US-20120226019-A1 COMPOUNDS AND METHODS FOR PURIFYING PEPTIDES PRODUCED BY SOLID PHASE PEPTIDE SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS (FR) 2012-09-06 US disclosed
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP disclosed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 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 (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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 MAPT 2060/4885ALDH1A1 826/4885LMNA 2787/4885
US-20120226019-A1 COMPOUNDS AND METHODS FOR PURIFYING PEPTIDES PRODUCED BY SOLID PHASE PEPTIDE SYNTHESIS VIP, QPCT, PTMS MAPT 3220/4885ALDH1A1 4667/4885LMNA 4369/4885

“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.