SCHEMBL9013326

SCHEMBL9013326

O=C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
MDM2 Q00987 1/20 0.41
EPHX1 P07099 1/20 0.41
HTT P42858 1/20 0.41
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ADRA2B P18089 1/20 0.40

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
SCHEMBL17965951 1.00 MEN1 (0.47) MEN1KMT2AHPGDCYP1A2L3MBTL1
SCHEMBL17965949 1.00 MEN1 (0.47) MEN1KMT2AHPGDCYP1A2L3MBTL1
SCHEMBL1642257 0.85 MEN1 (0.50) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL15676177 0.85 MEN1 (0.50) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL6448629 0.84 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL5962184 0.84 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL2736195 0.81 ATM (0.43) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL475432 0.80 EPHX1 (0.44) MEN1KMT2AHPGDCYP1A2L3MBTL1
SCHEMBL475431 0.80 EPHX1 (0.44) MEN1KMT2AHPGDCYP1A2L3MBTL1
SCHEMBL21900304 0.80 MEN1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
US-5530124-A Method for preparing cyclic ureas and their use for the synthesis of HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-25 US 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK MEN1 2870/4885KMT2A 1162/4885HPGD 1481/4885

“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.