SCHEMBL7160855

SCHEMBL7160855

O=C(O)CC(CC(=O)NCC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ KCNJ1 P48048 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SLC6A9 P48067 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL6576977 0.85 SLC6A9 (0.39) TDP1POLBALDH1A1MAPTSLC6A9
SCHEMBL7158186 0.83 PRMT5 (0.49) MEN1KMT2ATDP1LMNAKCNJ1
SCHEMBL6573147 0.80 OPRD1 (0.36) FNTAFNTBALDH1A1MAPTSLC6A9
SCHEMBL7176616 0.76 PRMT5 (0.39) FNTAFNTBHTTALDH1A1MAPT
SCHEMBL7158054 0.76 DRD4 (0.46) TDP1LMNAHTTKCNH2ALDH1A1
SCHEMBL1857061 0.73 FNTA (0.58) MEN1KMT2AFNTAFNTBTDP1
SCHEMBL17986158 0.73 KCNJ1 (0.51) TDP1NPC1KCNJ1KCNH2POLB
SCHEMBL7157651 0.72 TDP1 (0.69) TDP1LMNANPC1HTTALDH1A1
SCHEMBL2062748 0.71 SLC6A9 (0.49) KMT2ATDP1LMNAIGF1RNPC1
SCHEMBL5008179 0.69 SLC6A9 (0.46) KMT2ATDP1LMNAIGF1RNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768898-B1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AG (DE) 2003-04-09 — — EP disclosed
EP-1037671-B1 POLYROTAXANES SCHERING AG (DE) 2003-02-05 — — EP disclosed
EP-0917474-B1 PSEUDOPOLYROTAXANES SCHERING AG (DE) 2002-12-18 — — EP disclosed
US-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-06-20 — — US disclosed
US-6248306-B1 MEDICAL DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-19 — — US disclosed
EP-1037671-A1 POLYROTAXANES SCHERING AKTIENGESELLSCHAFT (DE) 2000-09-27 — — EP disclosed
US-6113880-A Polyrotaxane derivatives for x-ray and nuclear magnetic resonance imaging SCHERING AKTIENGESELLSCHAFT (DE) 2000-09-05 — — US disclosed
US-6068831-A NEW METAL COMPLEX-CONTAINING OR IODINE-CONTAINING BENZENE DERIVATIVES THAT CONTAIN PSEUDOPOLYROTAXANES THAT ARE VALUABLE COMPOUNDS FOR DIAGNOSTIC RADIOLOGY SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-30 — — US disclosed
WO-1999030744-A1 POLYROTAXANES SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-24 — — WO disclosed
EP-0777498-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AKTIENGESELLSCHAFT (DE) 1997-06-11 — — EP disclosed
EP-0768898-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-23 — — EP disclosed
WO-1996002274-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-01 — — WO disclosed
WO-1996001655-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-25 — — 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 (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-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION DCLRE1B, RNASE1, DCLRE1A MEN1 692/4885KMT2A 2627/4885FNTA 2713/4885

“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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