SCHEMBL6744527

SCHEMBL6744527

O=[N+]([O-])c1cc(C(O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
VCAM1 P19320 1/20 0.35
MCL1 Q07820 2/20 0.35
BCL2 P10415 1/20 0.35
NR1H3 Q13133 2/20 0.34
MAOB P27338 1/20 0.34
HCRTR2 O43614 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL6741478 1.00 ATM (0.39) ATMCTSVCTSLGABRA1GABRG2
SCHEMBL6746823 0.91 CTSV (0.39) ATMCTSVCTSLGABRA1GABRG2
SCHEMBL6744210 0.91 CTSV (0.39) ATMCTSVCTSLGABRA1GABRG2
SCHEMBL6742341 0.89 CTSV (0.43) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6742105 0.89 CTSV (0.43) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL6742092 0.86 CTSV (0.46) CTSVCTSLNR1H3MAOBMEN1
SCHEMBL6742903 0.86 CTSV (0.46) CTSVCTSLNR1H3MAOBMEN1
SCHEMBL6742339 0.86 ATM (0.40) ATMCTSVCTSLGABRA1GABRG2
SCHEMBL6740556 0.86 ATM (0.40) ATMCTSVCTSLGABRA1GABRG2
SCHEMBL7245164 0.83 SMN1; SMN2 (0.40) ATMCTSVCTSLVCAM1MCL1

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 ATM 1014/4885CTSV 3565/4885CTSL 2274/4885

“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.