SCHEMBL14910876

SCHEMBL14910876

CC(C)C[C@H](c1nnn[nH]1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.40
MMP1 P03956 3/20 0.38
MMP3 P08254 3/20 0.38
FNTA P49354 5/20 0.37
FNTB P49356 5/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL22370925 0.84 MEN1 (0.48) MEN1KMT2AATMFNTAFNTB
SCHEMBL14909550 0.80 MEN1 (0.43) MEN1KMT2AATMMMP1MMP3
SCHEMBL10822154 0.76 MEN1 (0.39) MEN1KMT2AATMFNTAFNTB
SCHEMBL17250645 0.72 ACE (0.47)
SCHEMBL1701279 0.69 KMT2A (0.76) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL3361242 0.68 AAK1 (0.58) ATM
SCHEMBL17653337 0.68 MEN1 (0.51) MEN1KMT2AATMMMP1MMP3
SCHEMBL8818911 0.68 MEN1 (0.51) MEN1KMT2AATMMMP1MMP3
SCHEMBL8819128 0.68 MEN1 (0.51) MEN1KMT2AATMMMP1MMP3
SCHEMBL15670960 0.68 KMT2A (0.59) MEN1KMT2AATMLMNAALDH1A1

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 6 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

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 1162/4885ATM 1941/4885

“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.