SCHEMBL6653529

SCHEMBL6653529

CCCN(CCC)CCC[C@H](NC(=O)c1ccc(CNCc2ccccn2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TACR3 P29371 1/20 0.41
PTGS2 P35354 2/20 0.40
MTNR1A P48039 2/20 0.40
NMBR P28336 3/20 0.40
CCKBR P32239 2/20 0.40
TACR1 P25103 1/20 0.40
NAMPT P43490 1/20 0.39
CTSC P53634 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6658800 0.95 NAMPT (0.41) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6655004 0.90 MEN1 (0.41) MEN1KMT2ATACR3PTGS2MTNR1A
SCHEMBL6657094 0.88 MMP2 (0.44) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6657565 0.88 CXCR4 (0.47) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6657265 0.88 MEN1 (0.39) MEN1KMT2ATACR3PTGS2MTNR1A
SCHEMBL6655550 0.86 NPC1 (0.43) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6019208 0.86 MMP2 (0.42) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6657259 0.85 TACR3 (0.41) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6019435 0.80 MMP2 (0.38) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6018782 0.80 NMBR (0.48) MEN1KMT2ATACR3NMBRCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US claimed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 EP claimed
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US disclosed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 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-20040254221-A1 Novel Nitrogenous Compound and use thereof NGLY1, NOD1, CCR1 MMP2 3354/4885MMP9 3282/4885MMP8 990/4885

“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.