SCHEMBL10064622

SCHEMBL10064622

c1ccc(CCNCc2ccc(CNCCc3ccccc3)nn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.58
EPHX2 P34913 1/20 0.58
SIGMAR1 Q99720 7/20 0.53
MPO P05164 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BCHE P06276 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL27228 0.81 GAA (0.95) GAAMAPTSIGMAR1MPOMEN1
SCHEMBL25432637 0.79 GAA (0.91) GAAMAPTSIGMAR1MPOMEN1
SCHEMBL11881258 0.79 GAA (0.91) GAAMAPTEPHX2SIGMAR1MPO
Ammonia Solution, Strong SCHEMBL23581968 0.79 GAA (0.91) GAAMAPTSIGMAR1MPOMEN1
Hydrochloric Acid SCHEMBL1983401 0.79 GAA (1.00) GAAMAPTSIGMAR1MPOMEN1
SCHEMBL3272134 0.79 GAA (0.91) GAAMAPTEPHX2SIGMAR1MPO
SCHEMBL283735 0.78 SIGMAR1 (0.81) GAAMAPTSMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL3987506 0.75 SMN1; SMN2 (0.66) GAAMAPTSMN1; SMN2EPHX2SIGMAR1
SCHEMBL10478067 0.75 EPHX2 (0.54) GAAMAPTSMN1; SMN2EPHX2SIGMAR1
SCHEMBL6031397 0.75 GAA (0.53) GAAMAPTSMN1; SMN2EPHX2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10290819-B2 Metal complexes MERCK PATENT GMBH (DE) 2019-05-14 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
WO-2012079741-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-06-21 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-10290819-B2 Metal complexes PICALM, IMMT, IKZF3 GAA 4195/4885MAPT 2442/4885SMN1; SMN2 4400/4885

“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.