SCHEMBL4583968

SCHEMBL4583968

O=C(O)N(CCCc1ccc(Br)cc1)C[C@H](O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
ALDH1A1 P00352 1/20 0.40
AOC3 Q16853 2/20 0.40
HSP90AA1 P07900 1/20 0.40
EPHX1 P07099 1/20 0.40
HDAC3 O15379 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL4583973 1.00 MEN1 (0.47) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL4584835 0.93 MEN1 (0.48) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL4584829 0.93 MEN1 (0.48) MEN1KMT2ACNR1CNR2KDM4E
SCHEMBL4584186 0.87 ADRB3 (0.46) HDAC3
SCHEMBL4584190 0.87 ADRB3 (0.46) HDAC3
SCHEMBL4585919 0.84 IGF1R (0.44) MEN1KMT2AALDH1A1
SCHEMBL4585915 0.84 IGF1R (0.44) MEN1KMT2AALDH1A1
SCHEMBL4479037 0.81 GLI1 (0.50) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4479042 0.81 GLI1 (0.50) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4401543 0.80 ADRB3 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 MEN1 4146/4885KMT2A 630/4885CNR1 13/4885

“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.