SCHEMBL6845368

SCHEMBL6845368

CC(C)(C)OC(=O)N1CCN(c2cccc([N+](=O)[O-])c2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
ENPP2 Q13822 2/20 0.48
MET P08581 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP1A2 P05177 1/20 0.44
GPR174 Q9BXC1 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CCR6 P51684 1/20 0.43
MAPK1 P28482 1/20 0.42
GRM5 P41594 1/20 0.42
PDK2 Q15119 1/20 0.42

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
SCHEMBL28773828 0.86 MAPT (0.58) MAPTALDH1A1LMNAENPP2MET
SCHEMBL29608605 0.86 MAPT (0.58) MAPTALDH1A1LMNAENPP2MET
SCHEMBL4435451 0.86 MAPT (0.63) MAPTALDH1A1LMNAENPP2MET
SCHEMBL30998112 0.86 MAPT (0.63) MAPTALDH1A1LMNAENPP2MET
SCHEMBL1247295 0.85 MAPT (0.59) MAPTALDH1A1LMNAENPP2MET
SCHEMBL4615368 0.83 MAPT (0.55) MAPTALDH1A1LMNAENPP2MET
SCHEMBL2977592 0.83 ALDH1A1 (0.63) MAPTALDH1A1LMNAMETSMN1; SMN2
SCHEMBL24130446 0.83 MAPT (0.57) MAPTALDH1A1LMNAENPP2MET
SCHEMBL30481715 0.83 MAPT (0.57) MAPTALDH1A1LMNAENPP2MET
SCHEMBL13489670 0.82 TP53 (0.48) MAPTALDH1A1LMNASMN1; SMN2CYP2C9

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885ALDH1A1 3632/4885LMNA 4001/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885ALDH1A1 3632/4885LMNA 4001/4885

“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.