SCHEMBL5597882

SCHEMBL5597882

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1I

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.69
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
KDR P35968 1/20 0.58
RXFP1 Q9HBX9 2/20 0.57
MPO P05164 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NTRK1 P04629 1/20 0.55
CDK19 Q9BWU1 1/20 0.55
RECQL P46063 1/20 0.54
TRPV1 Q8NER1 2/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL58185 0.86 GRIK1 (0.70) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL2181523 0.85 KMT2A (0.77) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL1463277 0.84 GRIK1 (0.82) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL1463169 0.84 GRIK1 (0.74) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL5598164 0.82 GRIK1 (0.65) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL6435235 0.81 GRIK1 (1.00) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL5597699 0.81 KMT2A (0.90) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL30101230 0.81 KMT2A (0.90) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664310 0.80 KMT2A (0.68) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664319 0.80 KMT2A (0.82) GRIK1MEN1KMT2AMAPTHTT

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
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 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 (2 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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 GRIK1 3053/4885MEN1 2905/4885KMT2A 4536/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 GRIK1 2419/4885MEN1 2248/4885KMT2A 4634/4885

“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.