SCHEMBL4462046

SCHEMBL4462046

C[C@H](Cc1ccc(I)cc1)N(C[C@@H](O)c1ccc(Cl)nc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.34
FFAR1 O14842 1/20 0.33
HCRTR2 O43614 1/20 0.33
LMNA P02545 3/20 0.32
MAOB P27338 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
GRM2 Q14416 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32

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
SCHEMBL4462043 1.00 MEN1 (0.37) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4475818 0.81 KDM4E (0.48) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4475815 0.81 KDM4E (0.48) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6799893 0.79 ADRB3 (0.48) CYP2C9ADRB3
SCHEMBL6799895 0.79 ADRB3 (0.48) CYP2C9ADRB3
SCHEMBL4459818 0.77 BCL2L1 (0.44) MEN1KMT2ALMNA
SCHEMBL4459823 0.77 BCL2L1 (0.44) MEN1KMT2ALMNA
SCHEMBL4479061 0.77 FFAR1 (0.36) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4479057 0.77 FFAR1 (0.36) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4477577 0.76 ADRB3 (0.37) GRM2ADRB3

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-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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 (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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 MEN1 4134/4885KMT2A 1218/4885KDM4E 2289/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 MEN1 4292/4885KMT2A 364/4885KDM4E 1554/4885

“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.