SCHEMBL6540250

SCHEMBL6540250

O=C(O)NCCc1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
KDM4E B2RXH2 1/20 0.47
F13A1 P00488 1/20 0.47
EPHX1 P07099 1/20 0.46
PLAAT5 Q96KN8 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA1 P00915 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL256027 0.82 KDM4E (0.70) KDM4EF13A1SMN1; SMN2
SCHEMBL4584283 0.82 NPC1 (0.64) CA12CA2CA9KDM4EF13A1
SCHEMBL5034532 0.82 L3MBTL1 (0.50) CA12CA2CA9KDM4EF13A1
SCHEMBL1437502 0.82 KDM4E (0.69) KDM4EF13A1PLAAT5PLAAT4PLAAT3
SCHEMBL1570160 0.82 CA12 (0.48) CA12CA2CA9KDM4EF13A1
Phenethylcarbamic Acid SCHEMBL249525 0.81 CA12 (0.68) CA12CA2CA9EPHX1PLAAT5
SCHEMBL20052590 0.81 LMNA (0.47) CA2KDM4EF13A1CA1
SCHEMBL28530111 0.81 ST14 (0.47) CA2KDM4EF13A1CA1
SCHEMBL4511148 0.80 KDM4E (0.52) CA12CA2CA9KDM4EF13A1
SCHEMBL6708022 0.80 L3MBTL1 (0.49) CA12CA2CA9KDM4EF13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CA12 4283/4885CA2 2242/4885CA9 3759/4885

“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.