SCHEMBL8749059

SCHEMBL8749059

CC(=O)C(=[N+]=[N-])C(=O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.57
CES2 O00748 2/20 0.57
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
AKR1B1 P15121 1/20 0.47
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTBP2 P56545 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39
SLC6A2 P23975 1/20 0.38

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
SCHEMBL10140684 0.84 KMT2A (0.41) CES1CES2FNTAFNTBMEN1
SCHEMBL10562353 0.84 CES1 (0.55) CES1CES2FNTAFNTBAKR1B1
SCHEMBL10562346 0.84 CES1 (0.55) CES1CES2FNTAFNTBAKR1B1
SCHEMBL9404036 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AHDAC8HDAC6MAPK1
SCHEMBL9404025 0.80 KDM4E (0.37) CES1CES2FNTAFNTBALDH1A1
SCHEMBL28366287 0.80 CES2 (0.47) CES1CES2FNTAFNTBALDH1A1
SCHEMBL106635 0.80 CES1 (0.73) CES1CES2FNTAFNTBAKR1B1
SCHEMBL8749069 0.79 CES1 (0.48) CES1CES2FNTAFNTBAKR1B1
SCHEMBL29523177 0.78 CES1 (0.70) CES1CES2FNTAFNTBAKR1B1
SCHEMBL9404039 0.77 MAPT (0.56) CES1ALDH1A1HDAC8HDAC6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-5627006-A ALKENYLOXY-SUBSTITUTED POLYVINYLPHENOLS, PHOTOSENSITIVE ACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-06 US disclosed
EP-0552548-B1 Resist material WAKO PURE CHEM IND LTD (JP) 1997-03-19 EP disclosed
EP-0323050-B1 Photosensitive compound WAKO PURE CHEM IND LTD (JP) 1994-11-02 EP disclosed
US-5250669-A Thermostability, photoresists WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
EP-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed
EP-0323050-A2 Photosensitive compound WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1989-07-05 EP disclosed
EP-0319325-A2 Photosensitive material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-07 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CES1 264/4885CES2 1763/4885FNTA 79/4885

“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.