SCHEMBL374030

SCHEMBL374030

Nc1ccc(F)cc1.O=C(O)C1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
RECQL P46063 1/20 0.56
LMNA P02545 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MAOB P27338 3/20 0.53
LTA4H P09960 6/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DHODH Q02127 1/20 0.48
AR P10275 1/20 0.47
F10 P00742 1/20 0.47

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
SCHEMBL4400427 0.90 MEN1 (0.64) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL373876 0.87 MET (0.52)
4-Aminophenol SCHEMBL374608 0.81 MET (0.46) ALDH1A1RAB9AGAAMAPTCA12
SCHEMBL13615636 0.78 MET (0.59)
SCHEMBL18256972 0.77 MET (0.54) ALDH1A1HDAC1RAB9AGAAMAPT
4-Benzyloxyaniline SCHEMBL5571271 0.77 MAOB (0.83) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL105644 0.77 ALDH1A1 (0.48) ALDH1A1HDAC1RAB9ANPC1GAA
SCHEMBL28667209 0.77 RAB9A (0.52) MEN1KMT2ALMNAHDAC1RAB9A
SCHEMBL28398157 0.77 MEN1 (0.52) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL20216810 0.77 RAB9A (0.49) MEN1KMT2AALDH1A1RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022065-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-01-26 US disclosed
EP-2409704-A2 c-Met modulators and methods of use Exelixis Inc. (US) 2012-01-25 EP disclosed
US-8067436-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2011-11-29 US disclosed
EP-1673085-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2011-11-09 EP disclosed
EP-2210607-B1 N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer EXELIXIS INC (US) 2011-08-17 EP disclosed
EP-2213661-B1 c-Met Modulators and Methods of Use EXELIXIS INC (US) 2011-07-20 EP disclosed
US-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 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 (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-20120022065-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 MEN1 1333/4885KMT2A 769/4885ALDH1A1 2578/4885
US-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 MEN1 1333/4885KMT2A 769/4885ALDH1A1 2578/4885

“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.