SCHEMBL1640562

SCHEMBL1640562

O=[N+]([O-])c1ccc(N2CCC(N3CCCCC3)CC2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SLC6A9 P48067 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
POLB P06746 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.45

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
SCHEMBL21245661 0.99 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL24267643 0.88 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL26655535 0.88 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL30306129 0.88 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL22471238 0.88 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL30928952 0.86 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL1127011 0.86 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL85672 0.86 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL25447381 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL10128069 0.85 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAGAAMAPT

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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 ALDH1A1 3014/4885KMT2A 2230/4885LMNA 3516/4885

“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.