SCHEMBL6744210

SCHEMBL6744210

O=[N+]([O-])c1cc([C@@H](O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H3 Q13133 2/20 0.35
MAOB P27338 1/20 0.35
HCRTR2 O43614 2/20 0.34
ALK Q9UM73 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL6746823 1.00 CTSV (0.39) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6741478 0.91 ATM (0.39) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6744527 0.91 ATM (0.39) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6742341 0.90 CTSV (0.43) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6742105 0.90 CTSV (0.43) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6742092 0.87 CTSV (0.46) CTSVCTSLMEN1KMT2ANR1H3
SCHEMBL6742903 0.87 CTSV (0.46) CTSVCTSLMEN1KMT2ANR1H3
SCHEMBL6743283 0.86 CTSV (0.39) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6744206 0.86 CTSV (0.39) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL7248143 0.83 HCRTR2 (0.40) CTSVCTSLGABRA1GABRG2GABRB3

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 2274/4885GABRA1 1360/4885

“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.