SCHEMBL7246012

SCHEMBL7246012

Nc1cc([C@@H](O)CN(Cc2ccccc2)[C@@H](O)CCc2ccc(OCc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ACP1 P24666 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN13 Q12923 1/20 0.36
SSU72 Q9NP77 1/20 0.36
SLC1A5 Q15758 2/20 0.36
PDK2 Q15119 1/20 0.36
ADRB3 P13945 4/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
BCHE P06276 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7252041 0.91 BCHE (0.39) NFKB1SLC1A5HPGDBCHEHSD17B10
SCHEMBL7246025 0.85 FFAR1 (0.44) NPC1RAB9ASMN1; SMN2ACP1PTPN12
SCHEMBL7041051 0.84 NPC1 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7041053 0.82 NPC1 (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4950423 0.81 ALDH1A1 (0.48) BCHE
SCHEMBL11819073 0.80 ALDH1A1 (0.47) SMN1; SMN2GAABCHE
SCHEMBL7606235 0.80 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7245922 0.78 POLB (0.43) GAABCHEMAPT
SCHEMBL11810281 0.77 OPRK1 (0.41) BCHEFFAR4
SCHEMBL7037082 0.77 NPY5R (0.39) SMN1; SMN2ADRB3HPGDBCHEHTT

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-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 NPC1 627/4885RAB9A 3614/4885SMN1; SMN2 1487/4885

“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.