SCHEMBL6018600

SCHEMBL6018600

CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H](CCCNCc2ccccn2)C(=O)O)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
KCNA5 P22460 3/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
RAB9A P51151 1/20 0.38
CTSK P43235 2/20 0.38
PAX8 Q06710 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
FOLH1 Q04609 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL6018026 0.81 KCNA5 (0.43) NPSR1MEN1KMT2AMAPTKCNA5
SCHEMBL6649544 0.81 KCNA5 (0.44) MEN1KMT2AKCNA5CTSKFOLH1
SCHEMBL6018172 0.79 FOLH1 (0.50) MAPTFNTAFNTBPGGT1BRAB9A
SCHEMBL6018611 0.79 CXCR4 (0.44) NPSR1MEN1KMT2AMAPTKCNA5
SCHEMBL21744303 0.74 CHRM2 (0.57) MEN1KMT2ATDP1RAB9A
SCHEMBL12762775 0.73 CHRM2 (0.59) NPSR1TDP1RAB9A
SCHEMBL6019255 0.73 BMP1 (0.42) MEN1KMT2AKCNA5CTSK
SCHEMBL6018159 0.72 HDAC1 (0.41) FNTAFNTBPGGT1B
SCHEMBL6018563 0.71 KCNA5 (0.46) MEN1KMT2AKCNA5RAB9ACTSK
SCHEMBL4678395 0.71 SMN1; SMN2 (0.61) MEN1KMT2AMAPTPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound KUREHA CORPORATION (JP) 2004-08-12 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
EP-1389460-A1 CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND Kureha Chemical Industry Co., Ltd. (JP) 2004-02-18 EP disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 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 (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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP NPSR1 2905/4885MEN1 3048/4885KMT2A 3470/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 NPSR1 99/4885MEN1 2191/4885KMT2A 4302/4885

“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.