SCHEMBL4969248

SCHEMBL4969248

O=[N+]([O-])c1cc(OC[C@@H]2CCCN2)cc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43

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
SCHEMBL445751 1.00 LTA4H (0.51) LTA4HCHRNB4CHRNA3
SCHEMBL3151853 1.00 LTA4H (0.51) LTA4HCHRNB4CHRNA3
SCHEMBL6217227 0.88 CHRNB4 (0.59) LTA4HCHRNB4CHRNA3
SCHEMBL12996852 0.85 LTA4H (0.63) LTA4HCHRNB4CHRNA3
SCHEMBL12996857 0.85 LTA4H (0.63) LTA4HCHRNB4CHRNA3
SCHEMBL17676942 0.85 LTA4H (0.63) LTA4HCHRNB4CHRNA3
SCHEMBL6215959 0.83 CHRNB4 (0.42) LTA4HCHRNB4CHRNA3
SCHEMBL6553523 0.81 KDM1A (0.42) CHRNB4CHRNA3
SCHEMBL27613786 0.80 CHRNB4 (0.38) LTA4HCHRNB4CHRNA3
SCHEMBL464554 0.79 LTA4H (0.56) LTA4HCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS LTA4H 342/4885CHRNB4 4745/4885CHRNA3 4728/4885

“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.