SCHEMBL6742903

SCHEMBL6742903

O=[N+]([O-])c1cccc([C@@H](O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
ALK Q9UM73 1/20 0.40
NR1H3 Q13133 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6742092 1.00 CTSV (0.46) CTSVCTSLLMNAALDH1A1L3MBTL1
SCHEMBL6744210 0.87 CTSV (0.39) CTSVCTSLMEN1KMT2AALK
SCHEMBL6746823 0.87 CTSV (0.39) CTSVCTSLMEN1KMT2AALK
SCHEMBL6741478 0.86 ATM (0.39) CTSVCTSLL3MBTL1MEN1KMT2A
SCHEMBL6744527 0.86 ATM (0.39) CTSVCTSLL3MBTL1MEN1KMT2A
SCHEMBL6744765 0.86 NR1H3 (0.41) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL6746794 0.86 NR1H3 (0.41) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL6742105 0.85 CTSV (0.43) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL6742341 0.85 CTSV (0.43) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL7250081 0.82 CTSV (0.47) CTSVCTSLLMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696573-B1 SYNTHESIS OF SUCH AS 2-(N-(2-(9H-CARBAZOL-2-YLOXY)ETHYL))-AMINO-1-((3 -METHYLSULFONYLAMINO)PHENYL)ETHANOL WITH ENHANCED OPTICAL PURITY ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-02-24 US disclosed
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 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 (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-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ADH1A, ADH1C, OXER1 CTSV 3565/4885CTSL 2274/4885LMNA 2562/4885

“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.