SCHEMBL6657094

SCHEMBL6657094

CCCN(CCC)CCC[C@H](NC(=O)c1ccc(CNCc2ccccn2)nc1)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ CCKBR P32239 2/20 0.41
▸ TACR3 P29371 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ NCOR2 Q9Y618 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
SCHEMBL6657565 0.93 CXCR4 (0.47) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6653529 0.88 MMP2 (0.43) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6655550 0.87 NPC1 (0.43) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6658800 0.86 NAMPT (0.41) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6654299 0.83 CXCR4 (0.47) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL6017927 0.82 CXCR4 (0.49) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6657290 0.81 HDAC3 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL6654534 0.80 ACHE (0.48) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL6659666 0.80 HDAC3 (0.46) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL6655004 0.79 MEN1 (0.41) MEN1KMT2AHDAC3HDAC1HDAC2

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.

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