SCHEMBL4025539

SCHEMBL4025539

CC(=O)Nc1ccc2c(C)noc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
MAP2K1 Q02750 1/20 0.50
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
RUNX1 Q01196 1/20 0.45
CBFB Q13951 1/20 0.45

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
SCHEMBL17307543 0.88 CA12 (0.48) CA12CA1CA9MAP2K1ALDH1A1
SCHEMBL7902665 0.83 CA12 (0.50) CA12CA1CA9MAP2K1ALDH1A1
SCHEMBL17454400 0.83 HIF1A (0.50) CA12CA1CA9MAP2K1ALDH1A1
SCHEMBL6554510 0.82 NR3C1 (0.52) CA12CA1CA9MAP2K1ALDH1A1
SCHEMBL16571762 0.81 CA12 (0.48) CA12CA1CA9MAP2K1ALDH1A1
SCHEMBL17307563 0.80 CA12 (0.60) CA12CA1CA9ALDH1A1SMN1; SMN2
SCHEMBL16571545 0.80 HIF1A (0.50) CA12CA1CA9MAP2K1LMNA
SCHEMBL17984615 0.80 CA12 (0.47) CA12CA1CA9MAP2K1ALDH1A1
SCHEMBL20229888 0.79 POLB (0.49) CA12CA1CA9MAP2K1ALDH1A1
SCHEMBL17984566 0.79 CA12 (0.46) CA12CA1CA9MAP2K1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221655-A1 ANTIBACTERIAL AGENTS PITZER, INC. (US) 2009-09-03 US disclosed
US-20090221655-A1 ANTIBACTERIAL AGENTS PITZER, INC. (US) 2009-09-03 US disclosed
US-20090221655-A1 ANTIBACTERIAL AGENTS PITZER, INC. (US) 2009-09-03 US disclosed
EP-1445258-B1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA NIPPON CHEMIPHAR CO (JP) 2009-06-24 EP disclosed
EP-2032565-A2 BENZISOXAZOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pfizer Products Inc. (US) 2009-03-11 EP disclosed
US-7402597-B2 Activator of peroxisome proliferator-activated receptor δ NIPPON CHEMIPHAR CO., LTD (JP) 2008-07-22 US disclosed
WO-2007088438-A2 BENZISOXAZOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-08-09 WO disclosed
US-20070027196-A1 Activator of peroxisome proliferator-activated receptor delta SAKUMA SHOGO 2007-02-01 US disclosed
US-7119104-B2 Activator of peroxisome proliferator-activated receptor delta NIPPON CHEMIPHAR, CO., LTD. (JP) 2006-10-10 US disclosed
US-20050096363-A1 Activator of peroxisome proliferator-activated receptor delta NIPPON CHEMIPHAR CO., LTD. (JP) 2005-05-05 US disclosed
EP-1445258-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA NIPPON CHEMIPHAR CO., LTD. (JP) 2004-08-11 EP disclosed
US-20020032330-A1 Propionic acid derivatives NOMURA YUTAKA (JP) 2002-03-14 US disclosed
EP-0994095-A1 PROPIONIC ACID DERIVATIVES NIPPON CHEMIPHAR CO., LTD. (JP) 2000-04-19 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 (4 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-20070027196-A1 Activator of peroxisome proliferator-activated receptor delta PPARA, PPARG, PPARD CA12 4494/4885CA1 4301/4885CA9 3965/4885
US-20090221655-A1 ANTIBACTERIAL AGENTS OXSR1, CBR3, AOC3 CA12 2635/4885CA1 3051/4885CA9 1048/4885
US-20020032330-A1 Propionic acid derivatives ABAT, ACAT1, PDXK CA12 3567/4885CA1 2869/4885CA9 2586/4885
US-20050096363-A1 Activator of peroxisome proliferator-activated receptor delta PPARA, PPARG, PPARD CA12 4494/4885CA1 4301/4885CA9 3965/4885

“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.