SCHEMBL4351612

SCHEMBL4351612

O=C1c2ccccc2C(=O)N1CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MAPT P10636 1/20 0.66
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
GLS O94925 1/20 0.65
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
CHRM2 P08172 2/20 0.63
CYP2D6 P10635 1/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63

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
SCHEMBL6790333 0.95 TDP1 (0.71) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL8863094 0.93 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19CHRM2
SCHEMBL8863154 0.93 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19CHRM2
SCHEMBL2604742 0.93 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19CHRM2
SCHEMBL6777483 0.93 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19CHRM2
SCHEMBL8862878 0.93 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19CHRM2
SCHEMBL8862728 0.93 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19CHRM2
SCHEMBL6699936 0.90 GLS (0.71) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL766369 0.89 TDP1 (0.59) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL3433208 0.89 TDP1 (0.59) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809368-B2 Compounds affecting gap junction activity KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-20090143425-A1 COMPOUNDS AFFECTING GAP JUNCTION ACTIVITY KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 US disclosed
US-20040176612-A1 Method for preparing n-($g(v)-bromoalkyl)phthalimides GILLET JEAN-PHILIPPE (FR) 2004-09-09 US disclosed
US-20040176613-A1 Method for preparing n-($g(v)-bromoalkyl)phthalimides GILLET JEAN-PHILIPPE (FR) 2004-09-09 US disclosed
US-RE35631-E Method of production of essentially pure melatonin and the method of solubilizing melatonin in water IFLO S.A.S. (IT) 1997-10-14 US disclosed
EP-0330625-B1 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I F L O S A S DI GIORGIO E ALD (IT) 1995-12-20 EP disclosed
US-5122535-A Mixing with adenosine; treating AIDS IFLO S.A.S. (IT) 1992-06-16 US disclosed
EP-0330625-A2 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I.F.L.O. S.a.s. di Giorgio e Aldo Laguzzi (IT) 1989-08-30 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 (3 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-20040176612-A1 Method for preparing n-($g(v)-bromoalkyl)phthalimides GK, DGKA, GNG2 TDP1 3482/4885L3MBTL1 3639/4885MAPT 1235/4885
US-20090143425-A1 COMPOUNDS AFFECTING GAP JUNCTION ACTIVITY GJB2, GJA1, GAP43 TDP1 2312/4885L3MBTL1 4703/4885MAPT 2537/4885
US-20040176613-A1 Method for preparing n-($g(v)-bromoalkyl)phthalimides GK, DGKG, DGKA TDP1 3495/4885L3MBTL1 2675/4885MAPT 1225/4885

“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.