SCHEMBL6576977

SCHEMBL6576977

Nc1ccc(C(CC(=O)O)CC(=O)NCC(O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.39
▸ PRMT5 O14744 14/20 0.38
▸ WDR77 Q9BQA1 14/20 0.38
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL7160855 0.85 MEN1 (0.47) SLC6A9PRMT5WDR77POLBSMN1; SMN2
SCHEMBL6573147 0.84 OPRD1 (0.36) SLC6A9PRMT5WDR77ALDH1A1MAPT
SCHEMBL7176616 0.80 PRMT5 (0.39) SLC6A9PRMT5WDR77ALDH1A1MAPT
SCHEMBL7157652 0.74 PRMT5 (0.46) PRMT5WDR77SMN1; SMN2
SCHEMBL7162717 0.72 PRMT5 (0.48) PRMT5WDR77
SCHEMBL7156020 0.72 RAB9A (0.39) SLC6A9PRMT5WDR77POLBSMN1; SMN2
SCHEMBL2386276 0.71 GABBR2 (0.57) POLBSMN1; SMN2TDP1MAPT
Tetraxetan SCHEMBL861961 0.71 SLC6A9 (0.49) SLC6A9POLBSMN1; SMN2TDP1ALDH1A1
SCHEMBL7159605 0.69 MAPT (0.60) POLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL18118422 0.69 OPRK1 (0.52) SLC6A9POLBSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777498-B1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AG (DE) 2004-04-28 — — EP disclosed
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
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
EP-0917474-A2 PSEUDOPOLYROTAXANES SCHERING AKTIENGESELLSCHAFT (DE) 1999-05-26 — — EP disclosed
WO-1998001163-A2 PSEUDOPOLYROTAXANES SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-15 — — WO disclosed
EP-0770146-A1 CONJUGATES OF METAL COMPLEXES AND OLIGONUCLEOTIDES, WHICH SPECIFICALLY BOND TO SPECIFIC TARGET STRUCTURES, AGENTS CONTAINING THESE CONJUGATES, THEIR USE IN NMR DIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-02 — — EP disclosed
EP-0768898-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-23 — — EP disclosed
WO-1996002669-A1 CONJUGATES OF METAL COMPLEXES AND OLIGONUCLEOTIDES, WHICH SPECIFICALLY BOND TO SPECIFIC TARGET STRUCTURES, AGENTS CONTAINING THESE CONJUGATES, THEIR USE IN NMR DIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION 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 SLC6A9 3136/4885PRMT5 2903/4885WDR77 1703/4885

“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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