SCHEMBL6741341

SCHEMBL6741341

O=[N+]([O-])c1cc([C@@H](O)CCl)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GRM8 O00222 2/20 0.35
GRM6 O15303 2/20 0.35
GRM4 Q14833 2/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
GPR35 Q9HC97 1/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRB2 P07550 1/20 0.34
EPAS1 Q99814 1/20 0.34
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM7 Q14831 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
SCHEMBL6742809 1.00 ALDH1A1 (0.44) ALDH1A1CYP2D6MAPTKDM4EGRM8
SCHEMBL6741460 0.86 ALDH1A1 (0.45) ALDH1A1CYP2D6MAPTKDM4EGRM8
SCHEMBL6746791 0.86 ALDH1A1 (0.45) ALDH1A1CYP2D6MAPTKDM4EGRM8
SCHEMBL6743654 0.83 VCAM1 (0.50) CYP2D6MAPTGRM8GRM6GRM4
SCHEMBL6743195 0.83 VCAM1 (0.50) CYP2D6MAPTGRM8GRM6GRM4
SCHEMBL28034390 0.79 ALDH1A1 (0.51) ALDH1A1CYP2D6MAPTKDM4EGAA
SCHEMBL25247784 0.78 ALDH1A1 (0.46) ALDH1A1CYP2D6MAPTKDM4EGAA
SCHEMBL16951813 0.75 ALDH1A1 (0.44) ALDH1A1CYP2D6MAPTKDM4EGAA
SCHEMBL1455781 0.75 ALDH1A1 (0.50) ALDH1A1CYP2D6MAPTKDM4EGAA
SCHEMBL9138871 0.75 ALDH1A1 (0.50) ALDH1A1CYP2D6MAPTKDM4EGAA

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-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
CN-1377342-A Process for preparation of tricyclic amino alcohol derivatives ASAHI CHEMICAL IND (JP) 2002-10-30 CN 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 ALDH1A1 80/4885CYP2D6 1351/4885MAPT 4293/4885

“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.