SCHEMBL14216867

SCHEMBL14216867

Cc1ccc(C2(C(F)(F)F)NN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGAT2 Q10469 2/20 0.34
CA2 P00918 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CA1 P00915 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20763906 0.77 PDK2 (0.36) TDP1CA2TSHRLMNA
SCHEMBL14216812 0.76 ALDH1A1 (0.36) MAOBMAOAKCNH2TSHR
SCHEMBL31410709 0.74
SCHEMBL22402480 0.74 ESR1 (0.44)
SCHEMBL20763624 0.72 PTGS1 (0.40) TSHRMEN1LMNAKMT2A
SCHEMBL24209554 0.72 LOXL2 (0.41) MAOBCA2CA1CA5ACA9
SCHEMBL17625640 0.71 TSHR (0.37) TSHR
SCHEMBL17625666 0.70 DGAT1 (0.33)
SCHEMBL17625664 0.69 MAOA (0.39) MAOBMAOAKCNH2MEN1KMT2A
SCHEMBL17625650 0.69 CES1 (0.35) TDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11913944-B2 Photoaffinity probes PROMEGA CORPORATION (US) 2024-02-27 US disclosed
US-20220317138-A1 METHODS FOR DETERMINING THE CONCENTRATION OF A CARBAPENEM ANTIBIOTIC IN A BIOLOGICAL SAMPLE Université de Liège (BE) 2022-10-06 US disclosed
US-20200340982-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION 2020-10-29 US disclosed
US-9907854-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2018-03-06 US disclosed
US-20170362221-A1 INHIBITORS OF KIDNEY-TYPE GLUTAMINASE, GLS-1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-21 US disclosed
WO-2017136689-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2017-08-10 WO disclosed
EP-2721038-B1 ALKYLAMINO BODIPY DYES AS SELECTIVE FLUORESCENT PROBES FOR PROTEINS AND MOUSE EMBRYONIC STEM CELLS NAT UNIV SINGAPORE (SG) 2017-07-26 EP disclosed
US-9689021-B2 Method for measuring beta-lactam antibiotics Université de Liège (BE) 2017-06-27 US disclosed
US-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CELLMOSAIC INC (US) 2017-03-09 US disclosed
US-9550978-B2 Isolation and functional identification of cells CAPROTEC BIOANALYTICS GMBH (DE) 2017-01-24 US disclosed
US-20160349268-A1 STEPWISE ASSEMBLED CAPTURE COMPOUNDS COMPRISING A CLEAVABLE FUNCTION AND METHOD FOR ISOLATING AND/OR CHARACTERIZING BIOMOLECULES OR BIOMOLECULE FRAGMENTS, IN PARTICULAR PROTEINS OR PROTEIN FRAGMENTS, OF COMPLEX MIXTURES CAPROTEC BIOANALYTICS GMBH (DE) 2016-12-01 US disclosed
EP-2913674-A1 Stepwise assembled capture compounds comprising a cleavable function and method for isolating and/or characterizing biomolecules or biomolecule fragments, in particular proteins or protein fragments, of complex mixtures Caprotec Bioanalytics GmbH (DE) 2015-09-02 EP disclosed
US-20130295636-A1 Isolation and Functional Identification of Cells CAPROTEC BIOANALYTICS GMBH (DE) 2013-11-07 US disclosed
WO-2008054481-A2 IMPROVED INACTIVATED INFLUENZA VIRUS COMPOSITIONS GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 2008-05-08 WO disclosed
US-20080072794-A1 Reactive Silicon Suboxide Flakes HOPPE HOLGER 2008-03-27 US disclosed
US-7176297-B2 Photoactivatable silane compounds and methods for their synthesis and use AFFYMETRIX, INC. (US) 2007-02-13 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 (3 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-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CD44, ADH1C, EPCAM MAOB 4316/4885MAOA 4481/4885ACHE 4005/4885
US-20160349268-A1 STEPWISE ASSEMBLED CAPTURE COMPOUNDS COMPRISING A CLEAVABLE FUNCTION AND METHOD FOR ISOLATING AND/OR CHARACTERIZING BIOMOLECULES OR BIOMOLECULE FRAGMENTS, IN PARTICULAR PROTEINS OR PROTEIN FRAGMENTS, OF COMPLEX MIXTURES FGB, CPB1, FURIN MAOB 1889/4885MAOA 3759/4885ACHE 3492/4885
US-20170362221-A1 INHIBITORS OF KIDNEY-TYPE GLUTAMINASE, GLS-1 GLS, GLS2, GLUL MAOB 2761/4885MAOA 3264/4885ACHE 4465/4885

“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.