SCHEMBL6779517

SCHEMBL6779517

Cn1cc(N)cc1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL29020234 0.83 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL26241207 0.82 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL25694618 0.79 RAB9A (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL9323836 0.79 AR (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL5121029 0.79 RAB9A (0.49) KMT2AALDH1A1LMNAKDM4ERAB9A
SCHEMBL7093351 0.76 JMJD6 (0.46) ALDH1A1MAPTKDM4ERAB9AMAOB
SCHEMBL20201248 0.76 NPC1 (0.72) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL14441754 0.76 P2RY12 (0.51) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL2992999 0.75 AR (0.43) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19503205 0.73 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191349-A1 C8, c8' linked 5-oxo-1,2,3,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4] benzodiazepine dimers with 1h-pyrrole-dicarboxylic acid amide linkers and oligomeric analogs therof as well as related compounds for the treatment of proliferative diseases SPIROGEN LIMITED (GB) 2007-08-16 US disclosed
US-6683189-B1 POLYAMIDE-OLIGONUCLEOTIDE CONJUGATES; NETROPSIN AND DISTAMYCIN A SYNTHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-01-27 US disclosed
US-6545162-B1 Solid phase biosynthesis of viricide antibiotic CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-04-08 US disclosed
EP-0885189-B9 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2003-04-02 EP disclosed
EP-0885189-B1 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2002-08-28 EP disclosed
US-6090947-A Method for the synthesis of pyrrole and imidazole carboxamides on a solid support CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-18 US 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-20070191349-A1 C8, c8' linked 5-oxo-1,2,3,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4] benzodiazepine dimers with 1h-pyrrole-dicarboxylic acid amide linkers and oligomeric analogs therof as well as related compounds for the treatment of proliferative diseases TSPO, GABRD, BCOR TDP1 1082/4885KMT2A 1725/4885SLC6A2 796/4885

“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.