SCHEMBL4597788

SCHEMBL4597788

CC(C)CC(N)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.57
ALDH1A1 P00352 3/20 0.45
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP8 P22894 2/20 0.43
MMP13 P45452 2/20 0.43
LTA4H P09960 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP9 P14780 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TLR9 Q9NR96 1/20 0.41
CASP3 P42574 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL1529982 1.00 ELANE (0.57) ELANEALDH1A1MMP1MMP2MMP3
SCHEMBL1529980 1.00 ELANE (0.57) ELANEALDH1A1MMP1MMP2MMP3
Hydrochloric Acid SCHEMBL16165146 0.98 ELANE (0.60) ELANEALDH1A1MMP1MMP2MMP3
Hydrochloric Acid SCHEMBL16165144 0.98 ELANE (0.60) ELANEALDH1A1MMP1MMP2MMP3
SCHEMBL3384205 0.84 KMT2A (0.49) ELANEALDH1A1LTA4HKMT2ACASP3
SCHEMBL14910316 0.84 KMT2A (0.49) ELANEALDH1A1LTA4HKMT2ACASP3
SCHEMBL10210078 0.82 ELANE (0.53) ELANEALDH1A1MMP1MMP2MMP3
SCHEMBL14928576 0.82 ELANE (0.53) ELANEALDH1A1MMP1MMP2MMP3
SCHEMBL6540452 0.82 ELANE (0.51) ELANEALDH1A1KMT2ACASP3CA12
SCHEMBL3379010 0.82 ELANE (0.51) ELANEALDH1A1KMT2ACASP3CA12

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
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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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 (2 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 ELANE 1661/4885ALDH1A1 1638/4885MMP1 2912/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 ELANE 313/4885ALDH1A1 3484/4885MMP1 3298/4885

“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.