SCHEMBL4445401

SCHEMBL4445401

C=CC(NCCNC(C=C)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
GRM7 Q14831 1/20 0.52
CYP3A4 P08684 4/20 0.50
ALOX15 P16050 4/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 2/20 0.38
HTR1A P08908 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
LMNA P02545 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL10989196 0.88 RAB9A (0.41) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL8458015 0.88 MTOR (0.41) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL9769539 0.87 CYP3A4 (0.42) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL10537184 0.86 MTOR (0.40) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL7126952 0.85 ALOX15 (0.42) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL8952425 0.84 ALDH1A1 (0.50) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL4842155 0.84 HPGD (0.45) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL10981498 0.84 CYP2C19 (0.41) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL10979420 0.83 SMN1; SMN2 (0.40) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL3297741 0.83 SMN1; SMN2 (0.43) MTORRAB9AGRM7CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090162314-A1 Magnesium-Containing Polymers for the Treatment of Hyperphosphatemia GENZYME CORPORATION 2009-06-25 US disclosed
EP-1945196-A2 MAGNESIUM-CONTAINING POLYMERS FOR HYPERPHOSPHATEMIA Genzyme Corporation (US) 2008-07-23 EP disclosed
WO-2007056405-A2 MAGNESIUM-CONTAINING POLYMERS FOR THE TREATMENT OF HYPERPHOSPHATEMIA GENZYME CORPORATION (US) 2007-05-18 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-20090162314-A1 Magnesium-Containing Polymers for the Treatment of Hyperphosphatemia PPIP5K2, PHPT1, PHOSPHO1 MTOR 992/4885RAB9A 3566/4885GRM7 639/4885

“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.