SCHEMBL6416019

SCHEMBL6416019

[NaH].[NaH].c1ccc(NCCNc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
ALDH1A1 P00352 3/20 0.74
L3MBTL1 Q9Y468 2/20 0.61
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CTSD P07339 1/20 0.47
DRD4 P21917 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
TSHR P16473 2/20 0.45
PTGS2 P35354 2/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL232188 0.97 MAPT (0.78) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL1562142 0.94 MAPT (0.74) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL11518220 0.88 MAPT (0.67) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL998994 0.88 MAPT (0.67) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL29227895 0.86 MAPT (0.64) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL19018136 0.86 ALDH1A1 (0.68) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL2065279 0.85 ALDH1A1 (1.00) MAPTALDH1A1L3MBTL1TDP1HSD17B10
SCHEMBL4970157 0.85 ALDH1A1 (0.89) MAPTALDH1A1L3MBTL1TDP1HSD17B10
SCHEMBL1354067 0.84 MAPT (0.61) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL19966249 0.84 MAPT (0.61) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090383-A1 Metal complex compositions and their use as catalysts to produce polydienes THIELE SVEN K (DE) 2005-04-28 US disclosed
US-20040241251-A1 Random or block co-or terpolymers produced by using of metal complex catalysts THIELE SVEN K H (DE) 2004-12-02 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-20040241251-A1 Random or block co-or terpolymers produced by using of metal complex catalysts SQLE, AP1M1, COASY MAPT 1088/4885ALDH1A1 3356/4885L3MBTL1 571/4885

“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.