SCHEMBL1125930

SCHEMBL1125930

Nc1c(-c2ccccc2C=O)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
TNF P01375 1/20 0.36
IL6 P05231 1/20 0.36
BACE1 P56817 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL458508 0.84 PIM1 (0.42) NFKB1MEN1LMNATHRBBLM
SCHEMBL4846671 0.84 MEN1 (0.46) NFKB1MEN1LMNATHRBBLM
SCHEMBL16414055 0.82 MPL (0.44) TDP1BACE1CES1MPLPDK2
SCHEMBL15608405 0.81 ALDH1A1 (0.41) NFKB1PIM1PIM3CES1ERN1
SCHEMBL28336820 0.81 NFKB1 (0.45) NFKB1MEN1LMNATHRBBLM
SCHEMBL29163117 0.77 MEN1 (0.46) MEN1LMNATHRBBLMKMT2A
SCHEMBL3789801 0.77 ALDH1A1 (0.52) TDP1BACE1CES1MPLHSD17B10
SCHEMBL67207 0.76 NFKB1 (0.57) NFKB1MEN1LMNATHRBBLM
SCHEMBL29417728 0.76 NFKB1 (0.57) NFKB1MEN1LMNATHRBBLM
SCHEMBL15608380 0.74 ALDH1A1 (0.40) NFKB1PIM1PIM3CES1ERN1

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
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 NFKB1 961/4885MEN1 4110/4885LMNA 1278/4885

“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.