SCHEMBL6017899

SCHEMBL6017899

N=C(N)NCCC[C@H](NC(=O)c1ccc(CNCc2ncc[nH]2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKACB P22694 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PADI4 Q9UM07 1/20 0.41
PADI2 Q9Y2J8 1/20 0.41
NMBR P28336 5/20 0.40
TACR3 P29371 1/20 0.40
CTSC P53634 1/20 0.39
MC4R P32245 2/20 0.39
MC1R Q01726 2/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
BRS3 P32247 1/20 0.39
TACR1 P25103 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL6018782 0.92 NMBR (0.48) MEN1KMT2APADI4PADI2NMBR
SCHEMBL6019208 0.88 MMP2 (0.42) MEN1KMT2APADI4PADI2NMBR
SCHEMBL6655004 0.87 MEN1 (0.41) MEN1KMT2ANMBRTACR3CTSC
SCHEMBL6648799 0.87 FNTA (0.44) PRKACBPADI4PADI2SMN1; SMN2
SCHEMBL6018092 0.82 CXCR4 (0.47) PRKACB
SCHEMBL6018824 0.82 CXCR4 (0.47) PRKACB
SCHEMBL6018188 0.82 SLC40A1 (0.37) MEN1KMT2APADI4PADI2NMBR
SCHEMBL6645735 0.81 PRKACB (0.46) PRKACBMEN1KMT2ANMBRTACR3
SCHEMBL6018048 0.81 MCHR1 (0.38) PRKACBPADI4PADI2
SCHEMBL6018027 0.79 FOLH1 (0.44) PADI4PADI2

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-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-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 PRKACB 4457/4885MEN1 3048/4885KMT2A 3470/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 PRKACB 1789/4885MEN1 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.