SCHEMBL3225319

SCHEMBL3225319

NCCC(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC3 O15379 8/20 0.51
HDAC2 Q92769 7/20 0.51
HDAC8 Q9BY41 7/20 0.51
HDAC4 P56524 6/20 0.51
HDAC7 Q8WUI4 6/20 0.51
HDAC10 Q969S8 6/20 0.51
HDAC11 Q96DB2 6/20 0.51
HDAC6 Q9UBN7 6/20 0.51
HDAC9 Q9UKV0 6/20 0.51
HDAC5 Q9UQL6 6/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
DEGS1 O15121 1/20 0.49

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
SCHEMBL10439757 0.89 MEN1 (0.52) HDAC1MEN1KMT2AHDAC3HDAC2
Hydrochloric Acid SCHEMBL11409811 0.87 MEN1 (0.51) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL19997327 0.86 HDAC1 (0.60) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL8015974 0.86 HDAC1 (0.60) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL8140115 0.86 CYP1A2 (0.59) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL28929263 0.82 NPC1 (0.62) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL10602228 0.82 HDAC1 (0.49) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL10793524 0.82 LTA4H (0.49) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL9731103 0.80 PLAU (0.58) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL8010136 0.79 NR1H4 (0.59) HDAC1MEN1KMT2AHDAC3HDAC2

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-8216802-B2 Detection medium for gram negative bacteria BIOMERIEUX (FR) 2012-07-10 US disclosed
US-20100062466-A1 MEDIUM FOR THE DETECTION AND/OR IDENTIFICATION OF BACTERIA BIOMERIEUX (FR) 2010-03-11 US disclosed
EP-1235927-B1 NOVEL ENZYMATIC SUBSTRATES FOR DETECTING PSEUDOMONAS AERUGINOSA BIOMERIEUX SA (FR) 2006-03-08 EP disclosed
EP-1621530-A1 Methods, compositions et enzyme substrates for the detection of Pseudomonas Aeruginosa BIOMERIEUX SA (FR) 2006-02-01 EP disclosed
US-6905841-B2 Enzymatic substrates for detecting Pseudomonas aeruginas BIOMERIEUX S.A. (FR) 2005-06-14 US disclosed
US-20030044877-A1 Novel enzymatic substrates for detecting pseudomonas aeruginosa, compositions containing same and method for detecting said species BIOMERIEUX S.A. (FR) 2003-03-06 US disclosed
EP-1235927-A2 NOVEL ENZYMATIC SUBSTRATES FOR DETECTING PSEUDOMONAS AERUGINOSA Biomerieux S.A. (FR) 2002-09-04 EP disclosed
WO-2001042491-A2 NOVEL ENZYMATIC SUBSTRATES FOR DETECTING PSEUDOMONAS AERUGINOSA BIOMERIEUX S.A. (FR) 2001-06-14 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 (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-20030044877-A1 Novel enzymatic substrates for detecting pseudomonas aeruginosa, compositions containing same and method for detecting said species PEPD, ENPEP, ANPEP HDAC1 3750/4885MEN1 3504/4885KMT2A 2959/4885

“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.