SCHEMBL1633474

SCHEMBL1633474

NC1=NN(c2cccc(C(=O)O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 2/20 0.57
ALOX5 P09917 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ABL1 P00519 1/20 0.50
KMO O15229 1/20 0.49
MAOA P21397 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
SCHEMBL7719905 0.77 ALOX5 (0.58) KMT2AMEN1L3MBTL1GAAMAPT
SCHEMBL11558230 0.77 PTGS1 (0.50) KMT2AMEN1GAAMAPTALOX5
Sulfuric Acid SCHEMBL11106611 0.75 ALOX5 (0.50) KMT2AMEN1L3MBTL1GAAMAPT
SCHEMBL10829797 0.74 MAPT (0.49) KMT2AMEN1L3MBTL1GAAMAPT
SCHEMBL10971004 0.74 ALDH1A1 (0.56) KMT2AMEN1L3MBTL1GAAMAPT
SCHEMBL10918872 0.74 KMT2A (0.47) KMT2AMEN1L3MBTL1GAAMAPT
SCHEMBL10829800 0.74 MAPT (0.49) KMT2AMEN1L3MBTL1GAAMAPT
SCHEMBL7719890 0.73 ALOX5 (0.58) MAPTALOX5PTGS1PTGS2ALDH1A1
SCHEMBL13187322 0.72 KMT2A (1.00) KMT2AMEN1L3MBTL1GAAMAPT
SCHEMBL6778709 0.72 SIGMAR1 (0.60) KMT2AMEN1L3MBTL1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 US disclosed
EP-1957075-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-08-20 EP disclosed
WO-2006055553-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-05-26 WO disclosed
EP-0055418-B1 PYRAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-26 EP disclosed
US-4572913-A INHIBITS ENZYMATIC PATHWAYS OF ARACHIONIC ACID METABOLISM BURROUGHS WELLCOME CO. (US) 1986-02-25 US disclosed
EP-0056465-B1 PYRAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1985-09-04 EP disclosed
US-4465685-A Antiinflammatory pyrazole thioureas BURROUGHS WELLCOME CO. (US) 1984-08-14 US disclosed
EP-0056465-A2 Pyrazoline derivatives, processes for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1982-07-28 EP disclosed
EP-0055418-A2 Pyrazoline derivatives, processes for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1982-07-07 EP 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 KMT2A 2049/4885MEN1 3696/4885L3MBTL1 656/4885

“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.