SCHEMBL5163537

SCHEMBL5163537

OCCCc1ncc2ccc(Br)cn12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
TBXAS1 P24557 2/20 0.37
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
TLR7 Q9NYK1 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1051308 0.80 TLR7 (0.38) KDM4ENPC1MAPK1RAB9ATLR7
SCHEMBL23991751 0.72 KDM4E (0.34) KDM4ENPC1MAPK1RAB9A
SCHEMBL5160393 0.72 TBXAS1 (0.45) CYP11B1CYP11B2TBXAS1KDM4EMAPK1
SCHEMBL30962408 0.72 KDM4E (0.39) KDM4ENPC1MAPK1RAB9AALDH1A1
SCHEMBL15825088 0.68 KDM4E (0.46) KDM4ENPC1MAPK1RAB9AALDH1A1
SCHEMBL21810392 0.67 KDM4E (0.42) KDM4ENPC1MAPK1RAB9AALDH1A1
SCHEMBL31495484 0.66 OGG1 (0.42) KDM4ENPC1MAPK1RAB9AALDH1A1
SCHEMBL3515320 0.65 CYP11B1 (0.41) CYP11B1CYP11B2KDM4ENPC1RAB9A
SCHEMBL22440094 0.65 KDM4E (0.36) KDM4ENPC1MAPK1RAB9AALDH1A1
SCHEMBL938447 0.65 SCN5A (0.54) KDM4ENPC1MAPK1RAB9A

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-20070066582-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
US-20070066604-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
EP-1764098-A1 Diaminoalcohols derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP disclosed
EP-1764099-A2 Diaminoalcohol derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP 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-20070066604-A1 Diaminoalcohols as therapeutic compounds CTSD, FURIN, CTSL CYP11B1 4582/4885CYP11B2 4543/4885TBXAS1 4525/4885
US-20070066582-A1 Diaminoalcohols as therapeutic compounds CTSD, CTSL, CTSC CYP11B1 4654/4885CYP11B2 4621/4885TBXAS1 4586/4885

“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.