SCHEMBL6740307

SCHEMBL6740307

O=C(CCl)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.70
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.57
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPK1 P28482 3/20 0.55
LMNA P02545 1/20 0.55
RAF1 P04049 1/20 0.55
GFER P55789 1/20 0.55
PAX8 Q06710 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.52
AGTR1 P30556 1/20 0.52

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
SCHEMBL240083 0.88 VCAM1 (0.72) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11001741 0.87 VCAM1 (0.66) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4175676 0.87 VCAM1 (0.70) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL30987015 0.85 VCAM1 (0.68) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL28386123 0.85 VCAM1 (0.68) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL239392 0.85 VCAM1 (0.68) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL12429089 0.85 VCAM1 (0.68) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL18833711 0.85 VCAM1 (0.68) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL29033969 0.85 VCAM1 (0.68) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10916044 0.83 VCAM1 (0.64) VCAM1ALDH1A1MAPTHPGDSMN1; SMN2

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 VCAM1 1771/4885ALDH1A1 80/4885MAPT 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.